4-hydroxyheptadecan-7-one

C17H34O2 — CID 10934542

IUPAC4-hydroxyheptadecan-7-one
SMILESCCCCCCCCCCC(=O)CCC(O)CCC
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-17(19)15-14-16(18)12-4-2/h16,18H,3-15H2,1-2H3
InChIKeySNACPSAXCXAAHF-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.03
Rot. Bonds14

About 4-hydroxyheptadecan-7-one

4-hydroxyheptadecan-7-one (PubChem CID 10934542) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-hydroxyheptadecan-7-one.

Molecular Properties

Compound Name4-hydroxyheptadecan-7-one
PubChem CID10934542
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name4-hydroxyheptadecan-7-one
SMILESCCCCCCCCCCC(=O)CCC(O)CCC
InChIInChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-17(19)15-14-16(18)12-4-2/h16,18H,3-15H2,1-2H3
InChIKeySNACPSAXCXAAHF-UHFFFAOYSA-N
XLogP5.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(22S)-22-hydroxytetratriacontan-13-one
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25-hydroxyhexatetracontan-21-one
CID 163029416
(10S)-10-hydroxyhentriacontan-4-one
CID 162996297
4-hydroxytricosan-6-one
CID 131751829
(8R,34R)-34-hydroxy-8-methylheptatriacontan-5-one
CID 163085638
36,47-dihydroxyhenpentacontan-4-one
CID 15693545
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
pentacosane-7,19-dione
CID 139254510
(3R)-3-hydroxytriacontan-11-one
CID 163074404
6-hydroxytritriacontan-3-one
CID 163195749

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyheptadecan-7-one?
The IUPAC name of 4-hydroxyheptadecan-7-one (CID 10934542) is 4-hydroxyheptadecan-7-one.
What is the SMILES notation for 4-hydroxyheptadecan-7-one?
The canonical SMILES for 4-hydroxyheptadecan-7-one is CCCCCCCCCCC(=O)CCC(O)CCC.
What is the InChIKey of 4-hydroxyheptadecan-7-one?
The InChIKey is SNACPSAXCXAAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-6-7-8-9-10-11-13-17(19)15-14-16(18)12-4-2/h16,18H,3-15H2,1-2H3.
What are the key properties of 4-hydroxyheptadecan-7-one?
4-hydroxyheptadecan-7-one has a molecular weight of 270.46 g/mol, XLogP of 5.03, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyheptadecan-7-one is sourced from PubChem (CID 10934542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).