(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]

C19H30O2 — CID 100949250

IUPAC(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]
SMILESCC1(C)C2CCC1(C)C1(C2)O[C@@H]2CCCC23CCC[C@H]3O1
InChIInChI=1S/C19H30O2/c1-16(2)13-8-11-17(16,3)19(12-13)20-14-6-4-9-18(14)10-5-7-15(18)21-19/h13-15H,4-12H2,1-3H3/t13?,14-,15-,17?,18?/m1/s1
InChIKeyINQCJLCTCYNCBJ-GAHPPOBZSA-N
MW290.45 g/mol
LogP4.67
Rot. Bonds

About (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]

(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] (PubChem CID 100949250) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane].

Molecular Properties

Compound Name(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]
PubChem CID100949250
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]
SMILESCC1(C)C2CCC1(C)C1(C2)O[C@@H]2CCCC23CCC[C@H]3O1
InChIInChI=1S/C19H30O2/c1-16(2)13-8-11-17(16,3)19(12-13)20-14-6-4-9-18(14)10-5-7-15(18)21-19/h13-15H,4-12H2,1-3H3/t13?,14-,15-,17?,18?/m1/s1
InChIKeyINQCJLCTCYNCBJ-GAHPPOBZSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] with MolForge

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Related Compounds

(1'R,4R,4'S,5S)-1',4,5,7',7'-pentamethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]
CID 98573353
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
(1'R,3aR,4S,4'R,5R,6R,7S,7aS)-1',7',7'-trimethyl-4,5,6,7-tetrakis(phenylmethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 14505233
[(3aR,4S,5S,6R,7R,7aS)-6,7-bis(2,2-dimethylpropanoyloxy)-5-hydroxy-1',7',7'-trimethylspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]-4-yl] 2,2-dimethylpropanoate
CID 101169166
[(1R,2R,2'S,4R)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxirane]-2'-yl]methanol
CID 130831289
(1R,2R)-2-amino-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889496
(3aR,4R,5S,6S,7R,7aS)-1',7',7'-trimethyl-4,5,6-tris(phenylmethoxy)-7-trityloxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 101169168
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
CID 176589523
CID 176589523
(1'R,3aS,4R,4'R,5S,6R,7R,7aR)-1',7',7'-trimethyl-4,5,6-tris(phenylmethoxy)-7-prop-2-enoxyspiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,2'-bicyclo[2.2.1]heptane]
CID 11422224
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptan-2-ol
CID 141237439
1,7,7-trimethyl-2-tribromosilylbicyclo[2.2.1]heptan-2-ol
CID 141126262

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]?
The IUPAC name of (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] (CID 100949250) is (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane].
What is the SMILES notation for (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]?
The canonical SMILES for (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] is CC1(C)C2CCC1(C)C1(C2)O[C@@H]2CCCC23CCC[C@H]3O1.
What is the InChIKey of (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]?
The InChIKey is INQCJLCTCYNCBJ-GAHPPOBZSA-N. The full InChI is InChI=1S/C19H30O2/c1-16(2)13-8-11-17(16,3)19(12-13)20-14-6-4-9-18(14)10-5-7-15(18)21-19/h13-15H,4-12H2,1-3H3/t13?,14-,15-,17?,18?/m1/s1.
What are the key properties of (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane]?
(5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] has a molecular weight of 290.45 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-1',7',7'-trimethylspiro[6,8-dioxatricyclo[7.3.0.01,5]dodecane-7,2'-bicyclo[2.2.1]heptane] is sourced from PubChem (CID 100949250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).