(4E,6E)-pentacosa-4,6-dien-1-ol

C25H48O — CID 118460624

IUPAC(4E,6E)-pentacosa-4,6-dien-1-ol
SMILESCCCCCCCCCCCCCCCCCC/C=C/C=C/CCCO
InChIInChI=1S/C25H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h19-22,26H,2-18,23-25H2,1H3/b20-19+,22-21+
InChIKeySDEWPLJVYBLCRU-DKHHWMATSA-N
MW364.66 g/mol
LogP8.52
Rot. Bonds21

About (4E,6E)-pentacosa-4,6-dien-1-ol

(4E,6E)-pentacosa-4,6-dien-1-ol (PubChem CID 118460624) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (4E,6E)-pentacosa-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E,6E)-pentacosa-4,6-dien-1-ol
PubChem CID118460624
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(4E,6E)-pentacosa-4,6-dien-1-ol
SMILESCCCCCCCCCCCCCCCCCC/C=C/C=C/CCCO
InChIInChI=1S/C25H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h19-22,26H,2-18,23-25H2,1H3/b20-19+,22-21+
InChIKeySDEWPLJVYBLCRU-DKHHWMATSA-N
XLogP8.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
tetradeca-7,9-dien-1-ol
CID 56637976
(E)-nonadec-4-en-1-ol
CID 87881885
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
(22E)-heptatetraconta-22,24-diene
CID 56629131
(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
(4E,6Z)-hexadeca-4,6,11-trien-1-ol
CID 134533002
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-pentacosa-4,6-dien-1-ol?
The IUPAC name of (4E,6E)-pentacosa-4,6-dien-1-ol (CID 118460624) is (4E,6E)-pentacosa-4,6-dien-1-ol.
What is the SMILES notation for (4E,6E)-pentacosa-4,6-dien-1-ol?
The canonical SMILES for (4E,6E)-pentacosa-4,6-dien-1-ol is CCCCCCCCCCCCCCCCCC/C=C/C=C/CCCO.
What is the InChIKey of (4E,6E)-pentacosa-4,6-dien-1-ol?
The InChIKey is SDEWPLJVYBLCRU-DKHHWMATSA-N. The full InChI is InChI=1S/C25H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h19-22,26H,2-18,23-25H2,1H3/b20-19+,22-21+.
What are the key properties of (4E,6E)-pentacosa-4,6-dien-1-ol?
(4E,6E)-pentacosa-4,6-dien-1-ol has a molecular weight of 364.66 g/mol, XLogP of 8.52, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-pentacosa-4,6-dien-1-ol is sourced from PubChem (CID 118460624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).