(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol

C25H50O2 — CID 101020780

IUPAC(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol
SMILESCCC(C)C/C=C/C(C)C(O)C(O)CC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C25H50O2/c1-8-20(4)13-11-17-23(7)25(27)24(26)18-22(6)16-10-15-21(5)14-9-12-19(2)3/h11,17,19-27H,8-10,12-16,18H2,1-7H3/b17-11+
InChIKeyFKPSEXOSAHTUKX-GZTJUZNOSA-N
MW382.67 g/mol
LogP7.00
Rot. Bonds16

About (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol

(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol (PubChem CID 101020780) has the molecular formula C25H50O2 and a molecular weight of 382.67 g/mol. Its IUPAC name is (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol.

Molecular Properties

Compound Name(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol
PubChem CID101020780
Molecular FormulaC25H50O2
Molecular Weight382.67 g/mol
Exact Mass382.38
IUPAC Name(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol
SMILESCCC(C)C/C=C/C(C)C(O)C(O)CC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C25H50O2/c1-8-20(4)13-11-17-23(7)25(27)24(26)18-22(6)16-10-15-21(5)14-9-12-19(2)3/h11,17,19-27H,8-10,12-16,18H2,1-7H3/b17-11+
InChIKeyFKPSEXOSAHTUKX-GZTJUZNOSA-N
XLogP7.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.67
LogP ≤ 57.00
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

(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
2,6,10,15,19,23-hexamethyltetracos-12-ene
CID 154734430
2,6,10,14,18,22,26-heptamethyloctacosane
CID 6428605
5,9-dimethyldecan-3-ol
CID 545842
2,6,10,15,19-pentamethylhenicosane
CID 6428617
2,6,13-trimethylpentadecane
CID 123742386
11-ethyl-2,6,9-trimethyltridecane
CID 123326718
(2S,6S)-6,10-dimethylundecan-2-ol
CID 92938997
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,6,10,14,19,23-hexamethylhexacosane
CID 6428620
2,11,23-trimethylpentacosane
CID 123728262
[(E)-19-hydroxy-3,7,11,15,19-pentamethylicos-5-en-8-yl] acetate
CID 10646025

Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol?
The IUPAC name of (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol (CID 101020780) is (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol.
What is the SMILES notation for (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol?
The canonical SMILES for (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol is CCC(C)C/C=C/C(C)C(O)C(O)CC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol?
The InChIKey is FKPSEXOSAHTUKX-GZTJUZNOSA-N. The full InChI is InChI=1S/C25H50O2/c1-8-20(4)13-11-17-23(7)25(27)24(26)18-22(6)16-10-15-21(5)14-9-12-19(2)3/h11,17,19-27H,8-10,12-16,18H2,1-7H3/b17-11+.
What are the key properties of (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol?
(E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol has a molecular weight of 382.67 g/mol, XLogP of 7.00, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15,19-pentamethylicos-5-ene-8,9-diol is sourced from PubChem (CID 101020780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).