(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol

C16H24O — CID 95565391

IUPAC(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol
SMILESO[C@H]1C=C2CCCCCCCC[C@@]3(C=C[C@@H]13)C2
InChIInChI=1S/C16H24O/c17-15-11-13-7-5-3-1-2-4-6-9-16(12-13)10-8-14(15)16/h8,10-11,14-15,17H,1-7,9,12H2/t14-,15-,16+/m0/s1
InChIKeyCWTBTFRMCVMCBT-HRCADAONSA-N
MW232.37 g/mol
LogP3.98
Rot. Bonds

About (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol

(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol (PubChem CID 95565391) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol.

Molecular Properties

Compound Name(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol
PubChem CID95565391
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol
SMILESO[C@H]1C=C2CCCCCCCC[C@@]3(C=C[C@@H]13)C2
InChIInChI=1S/C16H24O/c17-15-11-13-7-5-3-1-2-4-6-9-16(12-13)10-8-14(15)16/h8,10-11,14-15,17H,1-7,9,12H2/t14-,15-,16+/m0/s1
InChIKeyCWTBTFRMCVMCBT-HRCADAONSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol with MolForge

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Related Compounds

(1S,12R)-tricyclo[7.5.1.01,12]pentadeca-9,13-dien-11-one
CID 95565388
(1R,2R,8aR)-8a-methyl-1-propan-2-yl-2,4,5,6,7,8-hexahydro-1H-azulen-2-ol
CID 101243398
bicyclo[5.2.1]dec-7-en-1-ol
CID 71323945
tetracyclo[5.3.2.01,6.06,8]dodeca-9,11-diene
CID 13017125
(4aR)-4a-methyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130741530
4a-(hydroxymethyl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 73120799
spiro[4.5]decane-2,3-diol
CID 12530979
1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
CID 102217747
4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 130149133
(2S)-4,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CID 176717147
(1R,16R)-17,17-dibromotricyclo[12.3.2.01,16]nonadec-14(19)-ene
CID 98162597
(1S,16S)-17,17-dibromotricyclo[12.3.2.01,16]nonadec-14(19)-ene
CID 98162598

Frequently Asked Questions

What is the IUPAC name of (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol?
The IUPAC name of (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol (CID 95565391) is (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol.
What is the SMILES notation for (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol?
The canonical SMILES for (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol is O[C@H]1C=C2CCCCCCCC[C@@]3(C=C[C@@H]13)C2.
What is the InChIKey of (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol?
The InChIKey is CWTBTFRMCVMCBT-HRCADAONSA-N. The full InChI is InChI=1S/C16H24O/c17-15-11-13-7-5-3-1-2-4-6-9-16(12-13)10-8-14(15)16/h8,10-11,14-15,17H,1-7,9,12H2/t14-,15-,16+/m0/s1.
What are the key properties of (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol?
(1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol has a molecular weight of 232.37 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,12S,13R)-tricyclo[8.5.1.01,13]hexadeca-10,14-dien-12-ol is sourced from PubChem (CID 95565391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).