(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol

C103H172O7 — CID 158185053

IUPAC(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol
SMILESCC(C)C1(O)CC2(C1)C1C3CC3C2C2CC21.CC(C)C1(O)CC2(C1)C1CCCC2CCC1.CC(C)C1(O)CC2(CC3CC4CC3CC2C4)C1.CC(C)C1(O)CC2(CC3CCC2C3)C1.CC(C)C1(O)CC2(CC3CCC2CC3)C1.CC(C)C1(O)CC2(CC[C@@H]3C[C@H]2C3(C)C)C1.CC(C)C1(O)CC2(CC[C@H]3C[C@@H]2C3(C)C)C1
InChIInChI=1S/C16H26O.C15H22O.3C15H26O.C14H24O.C13H22O/c1-10(2)16(17)8-15(9-16)7-13-4-11-3-12(13)6-14(15)5-11;1-7(2)15(16)5-14(6-15)12-8-3-9(8)13(14)11-4-10(11)12;2*1-10(2)15(16)8-14(9-15)6-5-11-7-12(14)13(11,3)4;1-11(2)15(16)9-14(10-15)12-5-3-6-13(14)8-4-7-12;1-10(2)14(15)8-13(9-14)7-11-3-5-12(13)6-4-11;1-9(2)13(14)7-12(8-13)6-10-3-4-11(12)5-10/h10-14,17H,3-9H2,1-2H3;7-13,16H,3-6H2,1-2H3;2*10-12,16H,5-9H2,1-4H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;9-11,14H,3-8H2,1-2H3/t;;2*11-,12+,14?,15?;;;/m..10.../s1
InChIKeyFZAUXTFTBPVHFT-SMMPTNGZSA-N
MW1522.50 g/mol
LogP23.61
Rot. Bonds7

About (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol

(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol (PubChem CID 158185053) has the molecular formula C103H172O7 and a molecular weight of 1522.50 g/mol. Its IUPAC name is (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol.

Molecular Properties

Compound Name(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol
PubChem CID158185053
Molecular FormulaC103H172O7
Molecular Weight1522.50 g/mol
Exact Mass1521.31
IUPAC Name(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol
SMILESCC(C)C1(O)CC2(C1)C1C3CC3C2C2CC21.CC(C)C1(O)CC2(C1)C1CCCC2CCC1.CC(C)C1(O)CC2(CC3CC4CC3CC2C4)C1.CC(C)C1(O)CC2(CC3CCC2C3)C1.CC(C)C1(O)CC2(CC3CCC2CC3)C1.CC(C)C1(O)CC2(CC[C@@H]3C[C@H]2C3(C)C)C1.CC(C)C1(O)CC2(CC[C@H]3C[C@@H]2C3(C)C)C1
InChIInChI=1S/C16H26O.C15H22O.3C15H26O.C14H24O.C13H22O/c1-10(2)16(17)8-15(9-16)7-13-4-11-3-12(13)6-14(15)5-11;1-7(2)15(16)5-14(6-15)12-8-3-9(8)13(14)11-4-10(11)12;2*1-10(2)15(16)8-14(9-15)6-5-11-7-12(14)13(11,3)4;1-11(2)15(16)9-14(10-15)12-5-3-6-13(14)8-4-7-12;1-10(2)14(15)8-13(9-14)7-11-3-5-12(13)6-4-11;1-9(2)13(14)7-12(8-13)6-10-3-4-11(12)5-10/h10-14,17H,3-9H2,1-2H3;7-13,16H,3-6H2,1-2H3;2*10-12,16H,5-9H2,1-4H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;9-11,14H,3-8H2,1-2H3/t;;2*11-,12+,14?,15?;;;/m..10.../s1
InChIKeyFZAUXTFTBPVHFT-SMMPTNGZSA-N
XLogP23.61
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.50
LogP ≤ 523.61
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol with MolForge

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Related Compounds

1'-ethyl-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol
CID 142311973
tricyclo[4.2.1.03,7]nonane;tricyclo[6.2.1.01,5]undecane
CID 144554532
3-propan-2-ylbicyclo[3.2.1]octan-3-ol
CID 140568777
(1R,2S,5R)-2-hydroperoxy-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 98059544
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
CID 82933969
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
CID 12648920
2-spiro[bicyclo[2.2.1]heptane-2,3'-cyclopentane]-1'-ylethanol
CID 156535894
[(2S)-4-[(1S,2R,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]butan-2-yl] acetate
CID 6545759

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol?
The IUPAC name of (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol (CID 158185053) is (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol.
What is the SMILES notation for (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol?
The canonical SMILES for (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol is CC(C)C1(O)CC2(C1)C1C3CC3C2C2CC21.CC(C)C1(O)CC2(C1)C1CCCC2CCC1.CC(C)C1(O)CC2(CC3CC4CC3CC2C4)C1.CC(C)C1(O)CC2(CC3CCC2C3)C1.CC(C)C1(O)CC2(CC3CCC2CC3)C1.CC(C)C1(O)CC2(CC[C@@H]3C[C@H]2C3(C)C)C1.CC(C)C1(O)CC2(CC[C@H]3C[C@@H]2C3(C)C)C1.
What is the InChIKey of (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol?
The InChIKey is FZAUXTFTBPVHFT-SMMPTNGZSA-N. The full InChI is InChI=1S/C16H26O.C15H22O.3C15H26O.C14H24O.C13H22O/c1-10(2)16(17)8-15(9-16)7-13-4-11-3-12(13)6-14(15)5-11;1-7(2)15(16)5-14(6-15)12-8-3-9(8)13(14)11-4-10(11)12;2*1-10(2)15(16)8-14(9-15)6-5-11-7-12(14)13(11,3)4;1-11(2)15(16)9-14(10-15)12-5-3-6-13(14)8-4-7-12;1-10(2)14(15)8-13(9-14)7-11-3-5-12(13)6-4-11;1-9(2)13(14)7-12(8-13)6-10-3-4-11(12)5-10/h10-14,17H,3-9H2,1-2H3;7-13,16H,3-6H2,1-2H3;2*10-12,16H,5-9H2,1-4H3;11-13,16H,3-10H2,1-2H3;10-12,15H,3-9H2,1-2H3;9-11,14H,3-8H2,1-2H3/t;;2*11-,12+,14?,15?;;;/m..10.../s1.
What are the key properties of (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol?
(1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol has a molecular weight of 1522.50 g/mol, XLogP of 23.61, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;(1S,5S)-6,6-dimethyl-1'-propan-2-ylspiro[bicyclo[3.1.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.1]heptane-2,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[3.3.1]nonane-9,3'-cyclobutane]-1'-ol;1'-propan-2-ylspiro[bicyclo[2.2.2]octane-2,3'-cyclobutane]-1'-ol;1-propan-2-ylspiro[cyclobutane-3,9'-tetracyclo[3.3.1.02,4.06,8]nonane]-1-ol;1-propan-2-ylspiro[cyclobutane-3,5'-tricyclo[4.3.1.03,8]decane]-1-ol is sourced from PubChem (CID 158185053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).