5-decylheptadecan-1-ol

C27H56O — CID 171774120

IUPAC5-decylheptadecan-1-ol
SMILESCCCCCCCCCCCCC(CCCCO)CCCCCCCCCC
InChIInChI=1S/C27H56O/c1-3-5-7-9-11-13-14-16-18-20-24-27(25-21-22-26-28)23-19-17-15-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyFNNKUGYVWNTABQ-UHFFFAOYSA-N
MW396.74 g/mol
LogP9.61
Rot. Bonds24

About 5-decylheptadecan-1-ol

5-decylheptadecan-1-ol (PubChem CID 171774120) has the molecular formula C27H56O and a molecular weight of 396.74 g/mol. Its IUPAC name is 5-decylheptadecan-1-ol.

Molecular Properties

Compound Name5-decylheptadecan-1-ol
PubChem CID171774120
Molecular FormulaC27H56O
Molecular Weight396.74 g/mol
Exact Mass396.43
IUPAC Name5-decylheptadecan-1-ol
SMILESCCCCCCCCCCCCC(CCCCO)CCCCCCCCCC
InChIInChI=1S/C27H56O/c1-3-5-7-9-11-13-14-16-18-20-24-27(25-21-22-26-28)23-19-17-15-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3
InChIKeyFNNKUGYVWNTABQ-UHFFFAOYSA-N
XLogP9.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.74
LogP ≤ 59.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-octylicosan-1-ol
CID 162349984
3-octyldodecane-1,12-diol
CID 141481121
4-hexyldodecan-1-ol
CID 23212981
4-heptadecylheptane-1,7-diol
CID 54374368
2-decylhexane-1,6-diol
CID 141462709
3-pentylundecan-1-ol
CID 118576679
3-octyltridecan-1-ol
CID 13109029
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353
7-pentylheptadecane
CID 528528

Frequently Asked Questions

What is the IUPAC name of 5-decylheptadecan-1-ol?
The IUPAC name of 5-decylheptadecan-1-ol (CID 171774120) is 5-decylheptadecan-1-ol.
What is the SMILES notation for 5-decylheptadecan-1-ol?
The canonical SMILES for 5-decylheptadecan-1-ol is CCCCCCCCCCCCC(CCCCO)CCCCCCCCCC.
What is the InChIKey of 5-decylheptadecan-1-ol?
The InChIKey is FNNKUGYVWNTABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O/c1-3-5-7-9-11-13-14-16-18-20-24-27(25-21-22-26-28)23-19-17-15-12-10-8-6-4-2/h27-28H,3-26H2,1-2H3.
What are the key properties of 5-decylheptadecan-1-ol?
5-decylheptadecan-1-ol has a molecular weight of 396.74 g/mol, XLogP of 9.61, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decylheptadecan-1-ol is sourced from PubChem (CID 171774120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).