(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol

C19H30O — CID 144749408

IUPAC(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol
SMILESCC1C=C2C3CCC4C(C3C[C@H](C)CC2(O)C1)C4(C)C
InChIInChI=1S/C19H30O/c1-11-7-14-13(5-6-15-17(14)18(15,3)4)16-8-12(2)10-19(16,20)9-11/h8,11-15,17,20H,5-7,9-10H2,1-4H3/t11-,12?,13?,14?,15?,17?,19?/m0/s1
InChIKeyMDDAVXUILCOKKS-QMIXBZKTSA-N
MW274.45 g/mol
LogP4.41
Rot. Bonds

About (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol

(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol (PubChem CID 144749408) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol.

Molecular Properties

Compound Name(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol
PubChem CID144749408
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol
SMILESCC1C=C2C3CCC4C(C3C[C@H](C)CC2(O)C1)C4(C)C
InChIInChI=1S/C19H30O/c1-11-7-14-13(5-6-15-17(14)18(15,3)4)16-8-12(2)10-19(16,20)9-11/h8,11-15,17,20H,5-7,9-10H2,1-4H3/t11-,12?,13?,14?,15?,17?,19?/m0/s1
InChIKeyMDDAVXUILCOKKS-QMIXBZKTSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol?
The IUPAC name of (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol (CID 144749408) is (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol.
What is the SMILES notation for (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol?
The canonical SMILES for (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol is CC1C=C2C3CCC4C(C3C[C@H](C)CC2(O)C1)C4(C)C.
What is the InChIKey of (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol?
The InChIKey is MDDAVXUILCOKKS-QMIXBZKTSA-N. The full InChI is InChI=1S/C19H30O/c1-11-7-14-13(5-6-15-17(14)18(15,3)4)16-8-12(2)10-19(16,20)9-11/h8,11-15,17,20H,5-7,9-10H2,1-4H3/t11-,12?,13?,14?,15?,17?,19?/m0/s1.
What are the key properties of (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol?
(8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol has a molecular weight of 274.45 g/mol, XLogP of 4.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-4,8,12,12-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadec-2-en-6-ol is sourced from PubChem (CID 144749408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).