(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol

C20H28O2 — CID 87914348

IUPAC(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol
SMILESCC(/C=C/C=C/CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O
InChIInChI=1S/C20H28O2/c1-17(11-6-5-9-16-21)12-7-8-13-18(2)14-10-15-19(3)20(4)22/h5-15,20-22H,16H2,1-4H3/b8-7+,9-5+,11-6+,14-10+,17-12+,18-13+,19-15+
InChIKeyHUVVCVVVMKPFCX-IMYJMIMKSA-N
MW300.44 g/mol
LogP4.42
Rot. Bonds8

About (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol

(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol (PubChem CID 87914348) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol
PubChem CID87914348
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol
SMILESCC(/C=C/C=C/CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O
InChIInChI=1S/C20H28O2/c1-17(11-6-5-9-16-21)12-7-8-13-18(2)14-10-15-19(3)20(4)22/h5-15,20-22H,16H2,1-4H3/b8-7+,9-5+,11-6+,14-10+,17-12+,18-13+,19-15+
InChIKeyHUVVCVVVMKPFCX-IMYJMIMKSA-N
XLogP4.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol 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 (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol?
The IUPAC name of (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol (CID 87914348) is (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol?
The canonical SMILES for (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol is CC(/C=C/C=C/CO)=C\C=C\C=C(C)\C=C\C=C(/C)C(C)O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol?
The InChIKey is HUVVCVVVMKPFCX-IMYJMIMKSA-N. The full InChI is InChI=1S/C20H28O2/c1-17(11-6-5-9-16-21)12-7-8-13-18(2)14-10-15-19(3)20(4)22/h5-15,20-22H,16H2,1-4H3/b8-7+,9-5+,11-6+,14-10+,17-12+,18-13+,19-15+.
What are the key properties of (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol?
(2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol has a molecular weight of 300.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E,12E,14E)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14-heptaene-1,16-diol is sourced from PubChem (CID 87914348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).