5-decylpentadec-1-en-2-ol

C25H50O — CID 177206420

IUPAC5-decylpentadec-1-en-2-ol
SMILESC=C(O)CCC(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C25H50O/c1-4-6-8-10-12-14-16-18-20-25(23-22-24(3)26)21-19-17-15-13-11-9-7-5-2/h25-26H,3-23H2,1-2H3
InChIKeyMPGSQUGAYBVWBO-UHFFFAOYSA-N
MW366.67 g/mol
LogP9.52
Rot. Bonds21

About 5-decylpentadec-1-en-2-ol

5-decylpentadec-1-en-2-ol (PubChem CID 177206420) has the molecular formula C25H50O and a molecular weight of 366.67 g/mol. Its IUPAC name is 5-decylpentadec-1-en-2-ol.

Molecular Properties

Compound Name5-decylpentadec-1-en-2-ol
PubChem CID177206420
Molecular FormulaC25H50O
Molecular Weight366.67 g/mol
Exact Mass366.39
IUPAC Name5-decylpentadec-1-en-2-ol
SMILESC=C(O)CCC(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C25H50O/c1-4-6-8-10-12-14-16-18-20-25(23-22-24(3)26)21-19-17-15-13-11-9-7-5-2/h25-26H,3-23H2,1-2H3
InChIKeyMPGSQUGAYBVWBO-UHFFFAOYSA-N
XLogP9.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.67
LogP ≤ 59.52
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

5-hexyl-2-methylidenetridecanoic acid
CID 88921058
4-decyl-11-pentylnonadecanoic acid
CID 57279723
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
6-pentyldocosane
CID 90762104
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of 5-decylpentadec-1-en-2-ol?
The IUPAC name of 5-decylpentadec-1-en-2-ol (CID 177206420) is 5-decylpentadec-1-en-2-ol.
What is the SMILES notation for 5-decylpentadec-1-en-2-ol?
The canonical SMILES for 5-decylpentadec-1-en-2-ol is C=C(O)CCC(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 5-decylpentadec-1-en-2-ol?
The InChIKey is MPGSQUGAYBVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O/c1-4-6-8-10-12-14-16-18-20-25(23-22-24(3)26)21-19-17-15-13-11-9-7-5-2/h25-26H,3-23H2,1-2H3.
What are the key properties of 5-decylpentadec-1-en-2-ol?
5-decylpentadec-1-en-2-ol has a molecular weight of 366.67 g/mol, XLogP of 9.52, 21 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decylpentadec-1-en-2-ol is sourced from PubChem (CID 177206420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).