1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol

C25H42O — CID 75144748

IUPAC1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol
SMILESCC(C)=CCCC(C)C1CCC2(C)CC3C(CCC3(C)O)C(C)=CCC12
InChIInChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3
InChIKeyJNYWQVTXIGGOTC-UHFFFAOYSA-N
MW358.61 g/mol
LogP6.92
Rot. Bonds4

About 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol

1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol (PubChem CID 75144748) has the molecular formula C25H42O and a molecular weight of 358.61 g/mol. Its IUPAC name is 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol.

Molecular Properties

Compound Name1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol
PubChem CID75144748
Molecular FormulaC25H42O
Molecular Weight358.61 g/mol
Exact Mass358.32
IUPAC Name1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol
SMILESCC(C)=CCCC(C)C1CCC2(C)CC3C(CCC3(C)O)C(C)=CCC12
InChIInChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3
InChIKeyJNYWQVTXIGGOTC-UHFFFAOYSA-N
XLogP6.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 56.92
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 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The IUPAC name of 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol (CID 75144748) is 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol.
What is the SMILES notation for 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The canonical SMILES for 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol is CC(C)=CCCC(C)C1CCC2(C)CC3C(CCC3(C)O)C(C)=CCC12.
What is the InChIKey of 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
The InChIKey is JNYWQVTXIGGOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O/c1-17(2)8-7-9-18(3)20-12-14-24(5)16-23-21(13-15-25(23,6)26)19(4)10-11-22(20)24/h8,10,18,20-23,26H,7,9,11-16H2,1-6H3.
What are the key properties of 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol?
1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol has a molecular weight of 358.61 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8-trimethyl-12-(6-methylhept-5-en-2-yl)tricyclo[9.3.0.03,7]tetradec-8-en-4-ol is sourced from PubChem (CID 75144748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).