(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol

C27H47O2- — CID 59271281

IUPAC(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol
SMILESC[CH-]CCCC(C)(O)CCC/C(C)=C/CCC1(C)CCC2=CCC(C)C(C)C2O1
InChIInChI=1S/C27H47O2/c1-7-8-9-17-26(5,28)18-10-12-21(2)13-11-19-27(6)20-16-24-15-14-22(3)23(4)25(24)29-27/h7,13,15,22-23,25,28H,8-12,14,16-20H2,1-6H3/q-1/b21-13+
InChIKeyLCNWHVWRQVRJCH-FYJGNVAPSA-N
MW403.67 g/mol
LogP7.57
Rot. Bonds11

About (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol

(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol (PubChem CID 59271281) has the molecular formula C27H47O2- and a molecular weight of 403.67 g/mol. Its IUPAC name is (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol.

Molecular Properties

Compound Name(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol
PubChem CID59271281
Molecular FormulaC27H47O2-
Molecular Weight403.67 g/mol
Exact Mass403.36
IUPAC Name(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol
SMILESC[CH-]CCCC(C)(O)CCC/C(C)=C/CCC1(C)CCC2=CCC(C)C(C)C2O1
InChIInChI=1S/C27H47O2/c1-7-8-9-17-26(5,28)18-10-12-21(2)13-11-19-27(6)20-16-24-15-14-22(3)23(4)25(24)29-27/h7,13,15,22-23,25,28H,8-12,14,16-20H2,1-6H3/q-1/b21-13+
InChIKeyLCNWHVWRQVRJCH-FYJGNVAPSA-N
XLogP7.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.67
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-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 (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol?
The IUPAC name of (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol (CID 59271281) is (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol.
What is the SMILES notation for (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol?
The canonical SMILES for (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol is C[CH-]CCCC(C)(O)CCC/C(C)=C/CCC1(C)CCC2=CCC(C)C(C)C2O1.
What is the InChIKey of (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol?
The InChIKey is LCNWHVWRQVRJCH-FYJGNVAPSA-N. The full InChI is InChI=1S/C27H47O2/c1-7-8-9-17-26(5,28)18-10-12-21(2)13-11-19-27(6)20-16-24-15-14-22(3)23(4)25(24)29-27/h7,13,15,22-23,25,28H,8-12,14,16-20H2,1-6H3/q-1/b21-13+.
What are the key properties of (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol?
(E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol has a molecular weight of 403.67 g/mol, XLogP of 7.57, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,10-dimethyl-13-(2,7,8-trimethyl-3,4,6,7,8,8a-hexahydrochromen-2-yl)tridec-10-en-6-ol is sourced from PubChem (CID 59271281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).