1,15-dichloropentadecan-8-one

C15H28Cl2O — CID 175201480

IUPAC1,15-dichloropentadecan-8-one
SMILESO=C(CCCCCCCCl)CCCCCCCCl
InChIInChI=1S/C15H28Cl2O/c16-13-9-5-1-3-7-11-15(18)12-8-4-2-6-10-14-17/h1-14H2
InChIKeyGEWIRGXVYYUCKM-UHFFFAOYSA-N
MW295.29 g/mol
LogP5.71
Rot. Bonds14

About 1,15-dichloropentadecan-8-one

1,15-dichloropentadecan-8-one (PubChem CID 175201480) has the molecular formula C15H28Cl2O and a molecular weight of 295.29 g/mol. Its IUPAC name is 1,15-dichloropentadecan-8-one.

Molecular Properties

Compound Name1,15-dichloropentadecan-8-one
PubChem CID175201480
Molecular FormulaC15H28Cl2O
Molecular Weight295.29 g/mol
Exact Mass294.15
IUPAC Name1,15-dichloropentadecan-8-one
SMILESO=C(CCCCCCCCl)CCCCCCCCl
InChIInChI=1S/C15H28Cl2O/c16-13-9-5-1-3-7-11-15(18)12-8-4-2-6-10-14-17/h1-14H2
InChIKeyGEWIRGXVYYUCKM-UHFFFAOYSA-N
XLogP5.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

12-chlorododecan-6-one
CID 162712835
1-chloropentacosan-7-one
CID 162712808
11-chloroundecan-5-one
CID 162712825
1,11-dichloroundecane-5,7-dione
CID 154391115
1,10-dichlorodecane-3,8-dione
CID 57043927
7-chloro-1-fluoroheptan-3-one
CID 57067675
1-chlorodecan-4-one
CID 65439314
7-chloroheptanoic acid
CID 13188
7-chloro-3-oxoheptanoic acid
CID 22488478
12-chlorododecan-2-one
CID 162396741
1-chloropentadecan-3-one
CID 162712829
1-chlorononan-3-one
CID 11062938

Frequently Asked Questions

What is the IUPAC name of 1,15-dichloropentadecan-8-one?
The IUPAC name of 1,15-dichloropentadecan-8-one (CID 175201480) is 1,15-dichloropentadecan-8-one.
What is the SMILES notation for 1,15-dichloropentadecan-8-one?
The canonical SMILES for 1,15-dichloropentadecan-8-one is O=C(CCCCCCCCl)CCCCCCCCl.
What is the InChIKey of 1,15-dichloropentadecan-8-one?
The InChIKey is GEWIRGXVYYUCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28Cl2O/c16-13-9-5-1-3-7-11-15(18)12-8-4-2-6-10-14-17/h1-14H2.
What are the key properties of 1,15-dichloropentadecan-8-one?
1,15-dichloropentadecan-8-one has a molecular weight of 295.29 g/mol, XLogP of 5.71, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,15-dichloropentadecan-8-one is sourced from PubChem (CID 175201480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).