3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane

C21H32 — CID 90679571

IUPAC3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane
SMILESC1C[C@@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@@H](C23CCCC4CC(CCC42)C3)C1
InChIInChI=1S/C21H32/c1-4-16-15-10-18(17(16)5-1)20(11-15)21-8-2-3-14-9-13(12-21)6-7-19(14)21/h13-20H,1-12H2/t13?,14?,15-,16-,17-,18+,19?,20+,21?/m1/s1
InChIKeyOVMNUNUTMGIKER-WXLDUIGQSA-N
MW284.49 g/mol
LogP5.67
Rot. Bonds1

About 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane

3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane (PubChem CID 90679571) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane
PubChem CID90679571
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane
SMILESC1C[C@@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@@H](C23CCCC4CC(CCC42)C3)C1
InChIInChI=1S/C21H32/c1-4-16-15-10-18(17(16)5-1)20(11-15)21-8-2-3-14-9-13(12-21)6-7-19(14)21/h13-20H,1-12H2/t13?,14?,15-,16-,17-,18+,19?,20+,21?/m1/s1
InChIKeyOVMNUNUTMGIKER-WXLDUIGQSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane with MolForge

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Related Compounds

(1S,3R,7R,8R)-tricyclo[5.2.1.03,8]decan-3-ol
CID 124785144
15-methylhexacyclo[7.7.3.11,8.12,7.110,16.03,5]docos-4-ene
CID 163464977
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
CID 98172819
spiro[oxolane-2,16'-tetracyclo[7.5.2.02,7.010,14]hexadecane]
CID 69253002
(8R,9R,10S,13R,14S)-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-13-carboxylic acid
CID 150834881
(5R)-tricyclo[3.2.0.01,6]heptane
CID 163731431
(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
CID 102285377
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
(2R,6R,8S)-tricyclo[5.2.1.02,6]decan-8-ol
CID 91749092
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane?
The IUPAC name of 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane (CID 90679571) is 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane?
The canonical SMILES for 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane is C1C[C@@H]2[C@H](C1)[C@@H]1C[C@@H]2[C@@H](C23CCCC4CC(CCC42)C3)C1.
What is the InChIKey of 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane?
The InChIKey is OVMNUNUTMGIKER-WXLDUIGQSA-N. The full InChI is InChI=1S/C21H32/c1-4-16-15-10-18(17(16)5-1)20(11-15)21-8-2-3-14-9-13(12-21)6-7-19(14)21/h13-20H,1-12H2/t13?,14?,15-,16-,17-,18+,19?,20+,21?/m1/s1.
What are the key properties of 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane?
3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane has a molecular weight of 284.49 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]tricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 90679571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).