8-chloro-18-hydroxyoctadecan-7-one

C18H35ClO2 — CID 54284022

IUPAC8-chloro-18-hydroxyoctadecan-7-one
SMILESCCCCCCC(=O)C(Cl)CCCCCCCCCCO
InChIInChI=1S/C18H35ClO2/c1-2-3-4-12-15-18(21)17(19)14-11-9-7-5-6-8-10-13-16-20/h17,20H,2-16H2,1H3
InChIKeyRSUVWTGVSCIQFN-UHFFFAOYSA-N
MW318.93 g/mol
LogP5.64
Rot. Bonds16

About 8-chloro-18-hydroxyoctadecan-7-one

8-chloro-18-hydroxyoctadecan-7-one (PubChem CID 54284022) has the molecular formula C18H35ClO2 and a molecular weight of 318.93 g/mol. Its IUPAC name is 8-chloro-18-hydroxyoctadecan-7-one.

Molecular Properties

Compound Name8-chloro-18-hydroxyoctadecan-7-one
PubChem CID54284022
Molecular FormulaC18H35ClO2
Molecular Weight318.93 g/mol
Exact Mass318.23
IUPAC Name8-chloro-18-hydroxyoctadecan-7-one
SMILESCCCCCCC(=O)C(Cl)CCCCCCCCCCO
InChIInChI=1S/C18H35ClO2/c1-2-3-4-12-15-18(21)17(19)14-11-9-7-5-6-8-10-13-16-20/h17,20H,2-16H2,1H3
InChIKeyRSUVWTGVSCIQFN-UHFFFAOYSA-N
XLogP5.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.93
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-chlorooctadecan-8-one
CID 54543005
12-(8-hydroxyoctyl)docosane-10,11,13-trione
CID 22392426
1,5-dihydroxyhexacosan-4-one
CID 141328006
2-chloroheptadecan-3-one
CID 88651520
2-chlorooctadecanoyl chloride
CID 20512617
13-pentadecylheptacosane-12,14-dione
CID 141100144
1-hydroxytridecan-7-one
CID 87401341
28-hydroxyoctacosan-7-one
CID 15088059
1-hydroxydotriacontan-15-one
CID 71420958
(11S)-11-hydroxyicosan-10-one
CID 98053519
15-hydroxyoctacosan-14-one
CID 11270216
(9S)-9-hydroxyhexadecan-8-one
CID 97045447

Frequently Asked Questions

What is the IUPAC name of 8-chloro-18-hydroxyoctadecan-7-one?
The IUPAC name of 8-chloro-18-hydroxyoctadecan-7-one (CID 54284022) is 8-chloro-18-hydroxyoctadecan-7-one.
What is the SMILES notation for 8-chloro-18-hydroxyoctadecan-7-one?
The canonical SMILES for 8-chloro-18-hydroxyoctadecan-7-one is CCCCCCC(=O)C(Cl)CCCCCCCCCCO.
What is the InChIKey of 8-chloro-18-hydroxyoctadecan-7-one?
The InChIKey is RSUVWTGVSCIQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35ClO2/c1-2-3-4-12-15-18(21)17(19)14-11-9-7-5-6-8-10-13-16-20/h17,20H,2-16H2,1H3.
What are the key properties of 8-chloro-18-hydroxyoctadecan-7-one?
8-chloro-18-hydroxyoctadecan-7-one has a molecular weight of 318.93 g/mol, XLogP of 5.64, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-18-hydroxyoctadecan-7-one is sourced from PubChem (CID 54284022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).