(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol

C20H34O — CID 164665819

IUPAC(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol
SMILESC/C1=C/CC2C(C(C)C)CCC2(C)CC2C1CCC2(C)O
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-18-16(9-11-20(18,5)21)14(3)6-7-17(15)19/h6,13,15-18,21H,7-12H2,1-5H3/b14-6-
InChIKeySXHOTSAXEDIMFP-NSIKDUERSA-N
MW290.49 g/mol
LogP5.19
Rot. Bonds1

About (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol

(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol (PubChem CID 164665819) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol.

Molecular Properties

Compound Name(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol
PubChem CID164665819
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol
SMILESC/C1=C/CC2C(C(C)C)CCC2(C)CC2C1CCC2(C)O
InChIInChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-18-16(9-11-20(18,5)21)14(3)6-7-17(15)19/h6,13,15-18,21H,7-12H2,1-5H3/b14-6-
InChIKeySXHOTSAXEDIMFP-NSIKDUERSA-N
XLogP5.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol with MolForge

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Related Compounds

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Agarospirol
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(1S,3S,4S,7S,8R,10Z,12S)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-10-en-8-ol
CID 86289538
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Frequently Asked Questions

What is the IUPAC name of (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The IUPAC name of (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol (CID 164665819) is (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol.
What is the SMILES notation for (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The canonical SMILES for (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol is C/C1=C/CC2C(C(C)C)CCC2(C)CC2C1CCC2(C)O.
What is the InChIKey of (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The InChIKey is SXHOTSAXEDIMFP-NSIKDUERSA-N. The full InChI is InChI=1S/C20H34O/c1-13(2)15-8-10-19(4)12-18-16(9-11-20(18,5)21)14(3)6-7-17(15)19/h6,13,15-18,21H,7-12H2,1-5H3/b14-6-.
What are the key properties of (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
(8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol has a molecular weight of 290.49 g/mol, XLogP of 5.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1,4,8-trimethyl-12-propan-2-yltricyclo[9.3.0.03,7]tetradec-8-en-4-ol is sourced from PubChem (CID 164665819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).