(E)-pentacos-1-en-1-ol

C25H50O — CID 135335589

IUPAC(E)-pentacos-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC/C=C/O
InChIInChI=1S/C25H50O/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/h24-26H,2-23H2,1H3/b25-24+
InChIKeyCTOFRUKXMZGOFR-OCOZRVBESA-N
MW366.67 g/mol
LogP9.66
Rot. Bonds22

About (E)-pentacos-1-en-1-ol

(E)-pentacos-1-en-1-ol (PubChem CID 135335589) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is (E)-pentacos-1-en-1-ol.

Molecular Properties

Compound Name(E)-pentacos-1-en-1-ol
PubChem CID135335589
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Name(E)-pentacos-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC/C=C/O
InChIInChI=1S/C25H50O/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/h24-26H,2-23H2,1H3/b25-24+
InChIKeyCTOFRUKXMZGOFR-OCOZRVBESA-N
XLogP9.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 59.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-pentadec-1-en-1-ol
CID 135331786
(1E)-octadeca-1,11-dien-1-ol
CID 138611647
(1Z,7Z)-trideca-1,7-dien-1-ol
CID 175047617
octadeca-1,13-dien-1-ol
CID 173121354
acetic acid;tetracos-1-en-1-ol
CID 71418206
hexadec-1-en-1-ol;sulfuric acid
CID 173403496
acetic acid;hexadec-1-en-1-ol
CID 71357658
(E)-7-methylpentadec-1-en-1-ol
CID 18427313
7-methylpentadec-1-en-1-ol
CID 73444585
sodium;hex-1-en-1-ol;hydride
CID 174682288
tetradeca-1,3-dien-1-ol
CID 73437176
deca-1,4-dien-1-ol
CID 71324035

Frequently Asked Questions

What is the IUPAC name of (E)-pentacos-1-en-1-ol?
The IUPAC name of (E)-pentacos-1-en-1-ol (CID 135335589) is (E)-pentacos-1-en-1-ol.
What is the SMILES notation for (E)-pentacos-1-en-1-ol?
The canonical SMILES for (E)-pentacos-1-en-1-ol is CCCCCCCCCCCCCCCCCCCCCCC/C=C/O.
What is the InChIKey of (E)-pentacos-1-en-1-ol?
The InChIKey is CTOFRUKXMZGOFR-OCOZRVBESA-N. The full InChI is InChI=1S/C25H50O/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/h24-26H,2-23H2,1H3/b25-24+.
What are the key properties of (E)-pentacos-1-en-1-ol?
(E)-pentacos-1-en-1-ol has a molecular weight of 366.67 g/mol, XLogP of 9.66, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pentacos-1-en-1-ol is sourced from PubChem (CID 135335589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).