(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol

C20H34O — CID 13255923

IUPAC(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
SMILESC/C1=C\CC/C(C)=C/[C@@H](O)[C@H](C(C)C)CC/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14-15,19-21H,6-8,11-13H2,1-5H3/b16-9+,17-10+,18-14+/t19-,20+/m0/s1
InChIKeyHVZNIISBCURSMR-ALFIBICVSA-N
MW290.49 g/mol
LogP5.81
Rot. Bonds1

About (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol

(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol (PubChem CID 13255923) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
PubChem CID13255923
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol
SMILESC/C1=C\CC/C(C)=C/[C@@H](O)[C@H](C(C)C)CC/C(C)=C/CC1
InChIInChI=1S/C20H34O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14-15,19-21H,6-8,11-13H2,1-5H3/b16-9+,17-10+,18-14+/t19-,20+/m0/s1
InChIKeyHVZNIISBCURSMR-ALFIBICVSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The IUPAC name of (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol (CID 13255923) is (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol.
What is the SMILES notation for (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The canonical SMILES for (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol is C/C1=C\CC/C(C)=C/[C@@H](O)[C@H](C(C)C)CC/C(C)=C/CC1.
What is the InChIKey of (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol?
The InChIKey is HVZNIISBCURSMR-ALFIBICVSA-N. The full InChI is InChI=1S/C20H34O/c1-15(2)19-13-12-17(4)10-6-8-16(3)9-7-11-18(5)14-20(19)21/h9-10,14-15,19-21H,6-8,11-13H2,1-5H3/b16-9+,17-10+,18-14+/t19-,20+/m0/s1.
What are the key properties of (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol?
(1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol has a molecular weight of 290.49 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2E,6E,10E,14S)-3,7,11-trimethyl-14-propan-2-ylcyclotetradeca-2,6,10-trien-1-ol is sourced from PubChem (CID 13255923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).