6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol

C23H40O2 — CID 91549538

IUPAC6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(O)CO
InChIInChI=1S/C23H40O2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(25)18-24/h10,12,14,16,23-25H,6-9,11,13,15,17-18H2,1-5H3
InChIKeyBKUUCLUYYNFDBZ-UHFFFAOYSA-N
MW348.57 g/mol
LogP6.27
Rot. Bonds13

About 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol

6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol (PubChem CID 91549538) has the molecular formula C23H40O2 and a molecular weight of 348.57 g/mol. Its IUPAC name is 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol.

Molecular Properties

Compound Name6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol
PubChem CID91549538
Molecular FormulaC23H40O2
Molecular Weight348.57 g/mol
Exact Mass348.30
IUPAC Name6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(O)CO
InChIInChI=1S/C23H40O2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(25)18-24/h10,12,14,16,23-25H,6-9,11,13,15,17-18H2,1-5H3
InChIKeyBKUUCLUYYNFDBZ-UHFFFAOYSA-N
XLogP6.27
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.57
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-5-hepten-2-ol
CID 20745
Trisnorsqualene alcohol
CID 14379145
Crinitol
CID 6441081
2,6-Dimethyl-2,6-undecadien-10-ol
CID 5370125
(2E,6E,10E,13S)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene-1,13-diol
CID 6443625
4,8,12,16-Octadecatetraen-1-ol, 4,9,13,17-tetramethyl-
CID 5368962
(+)-6-Methyl-5-hepten-2-ol
CID 6971127
sulcatol, (R)-
CID 6971128
5,9-Undecadien-2-ol, 6,10-dimethyl-
CID 103851
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaen-1-ol
CID 14701004
(6E,10E,14E,18E)-2,6,10,15,19,23-Hexamethyl-1,6,10,14,18,22-tetracosahexaen-3-ol
CID 5366014
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-ol
CID 6367710

Frequently Asked Questions

What is the IUPAC name of 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol?
The IUPAC name of 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol (CID 91549538) is 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol.
What is the SMILES notation for 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol?
The canonical SMILES for 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol is CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(O)CO.
What is the InChIKey of 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol?
The InChIKey is BKUUCLUYYNFDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O2/c1-19(2)10-6-11-20(3)12-7-13-21(4)14-8-15-22(5)16-9-17-23(25)18-24/h10,12,14,16,23-25H,6-9,11,13,15,17-18H2,1-5H3.
What are the key properties of 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol?
6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol has a molecular weight of 348.57 g/mol, XLogP of 6.27, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2-diol is sourced from PubChem (CID 91549538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).