(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol

C20H32O2 — CID 5469908

IUPAC(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol
SMILESC=C(CO)[C@H]1CC/C(C)=C/CC/C(C)=C/C/C=C(\C)[C@H](O)C1
InChIInChI=1S/C20H32O2/c1-15-7-5-8-16(2)11-12-19(18(4)14-21)13-20(22)17(3)10-6-9-15/h8-10,19-22H,4-7,11-14H2,1-3H3/b15-9+,16-8+,17-10+/t19-,20+/m0/s1
InChIKeyLVXDRCSHBHXOGT-ZVRPMZRQSA-N
MW304.47 g/mol
LogP4.71
Rot. Bonds2

About (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol

(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol (PubChem CID 5469908) has the molecular formula C20H32O2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol.

Molecular Properties

Compound Name(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol
PubChem CID5469908
Molecular FormulaC20H32O2
Molecular Weight304.47 g/mol
Exact Mass304.24
IUPAC Name(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol
SMILESC=C(CO)[C@H]1CC/C(C)=C/CC/C(C)=C/C/C=C(\C)[C@H](O)C1
InChIInChI=1S/C20H32O2/c1-15-7-5-8-16(2)11-12-19(18(4)14-21)13-20(22)17(3)10-6-9-15/h8-10,19-22H,4-7,11-14H2,1-3H3/b15-9+,16-8+,17-10+/t19-,20+/m0/s1
InChIKeyLVXDRCSHBHXOGT-ZVRPMZRQSA-N
XLogP4.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-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 (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol?
The IUPAC name of (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol (CID 5469908) is (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol.
What is the SMILES notation for (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol?
The canonical SMILES for (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol is C=C(CO)[C@H]1CC/C(C)=C/CC/C(C)=C/C/C=C(\C)[C@H](O)C1.
What is the InChIKey of (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol?
The InChIKey is LVXDRCSHBHXOGT-ZVRPMZRQSA-N. The full InChI is InChI=1S/C20H32O2/c1-15-7-5-8-16(2)11-12-19(18(4)14-21)13-20(22)17(3)10-6-9-15/h8-10,19-22H,4-7,11-14H2,1-3H3/b15-9+,16-8+,17-10+/t19-,20+/m0/s1.
What are the key properties of (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol?
(1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol has a molecular weight of 304.47 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2E,5E,9E,13S)-13-(3-hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol is sourced from PubChem (CID 5469908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).