(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol

C22H36O2 — CID 14379328

IUPAC(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol
SMILESC=C1CC/C=C(\C)CC(OCC)/C(C(C)C)=C\C=C(/C)CC[C@@H]1O
InChIInChI=1S/C22H36O2/c1-7-24-22-15-18(5)9-8-10-19(6)21(23)14-12-17(4)11-13-20(22)16(2)3/h9,11,13,16,21-23H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-9+,20-13-/t21-,22?/m0/s1
InChIKeyGRURPUQKXZLJEX-ZDQQRVLJSA-N
MW332.53 g/mol
LogP5.75
Rot. Bonds3

About (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol

(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol (PubChem CID 14379328) has the molecular formula C22H36O2 and a molecular weight of 332.53 g/mol. Its IUPAC name is (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol.

Molecular Properties

Compound Name(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol
PubChem CID14379328
Molecular FormulaC22H36O2
Molecular Weight332.53 g/mol
Exact Mass332.27
IUPAC Name(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol
SMILESC=C1CC/C=C(\C)CC(OCC)/C(C(C)C)=C\C=C(/C)CC[C@@H]1O
InChIInChI=1S/C22H36O2/c1-7-24-22-15-18(5)9-8-10-19(6)21(23)14-12-17(4)11-13-20(22)16(2)3/h9,11,13,16,21-23H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-9+,20-13-/t21-,22?/m0/s1
InChIKeyGRURPUQKXZLJEX-ZDQQRVLJSA-N
XLogP5.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-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,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol?
The IUPAC name of (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol (CID 14379328) is (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol.
What is the SMILES notation for (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol?
The canonical SMILES for (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol is C=C1CC/C=C(\C)CC(OCC)/C(C(C)C)=C\C=C(/C)CC[C@@H]1O.
What is the InChIKey of (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol?
The InChIKey is GRURPUQKXZLJEX-ZDQQRVLJSA-N. The full InChI is InChI=1S/C22H36O2/c1-7-24-22-15-18(5)9-8-10-19(6)21(23)14-12-17(4)11-13-20(22)16(2)3/h9,11,13,16,21-23H,6-8,10,12,14-15H2,1-5H3/b17-11+,18-9+,20-13-/t21-,22?/m0/s1.
What are the key properties of (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol?
(1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol has a molecular weight of 332.53 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4E,6Z,10E)-8-ethoxy-4,10-dimethyl-14-methylidene-7-propan-2-ylcyclotetradeca-4,6,10-trien-1-ol is sourced from PubChem (CID 14379328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).