(1,5-dichloro-2-methylpentyl)benzene

C12H16Cl2 — CID 174512568

IUPAC(1,5-dichloro-2-methylpentyl)benzene
SMILESCC(CCCCl)C(Cl)c1ccccc1
InChIInChI=1S/C12H16Cl2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyPMMVCGQFCBJBRB-UHFFFAOYSA-N
MW231.17 g/mol
LogP4.62
Rot. Bonds5

About (1,5-dichloro-2-methylpentyl)benzene

(1,5-dichloro-2-methylpentyl)benzene (PubChem CID 174512568) has the molecular formula C12H16Cl2 and a molecular weight of 231.17 g/mol. Its IUPAC name is (1,5-dichloro-2-methylpentyl)benzene.

Molecular Properties

Compound Name(1,5-dichloro-2-methylpentyl)benzene
PubChem CID174512568
Molecular FormulaC12H16Cl2
Molecular Weight231.17 g/mol
Exact Mass230.06
IUPAC Name(1,5-dichloro-2-methylpentyl)benzene
SMILESCC(CCCCl)C(Cl)c1ccccc1
InChIInChI=1S/C12H16Cl2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3
InChIKeyPMMVCGQFCBJBRB-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-chloropentan-2-ylbenzene
CID 524354
(1-chloro-2-methyl-4-phenylbutyl)benzene
CID 86095449
(7-chloro-4-methyl-1-phenylheptyl)benzene
CID 174655808
1,5-dichloropentan-2-ylbenzene
CID 70049955
4-chlorobutan-2-ylbenzene
CID 570466
1-chloro-2-(3-chloro-2-methyl-3-phenylpropyl)benzene
CID 113460184
(1R,2R)-1-chloro-N-(2-chloroethyl)-N-methyl-1-phenylpropan-2-amine
CID 23261492
5-chloro-1-phenylpentan-1-ol
CID 14449235
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
6-chloro-1-phenylhexan-1-ol
CID 10398289
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
[(1R)-1-chloroethyl]benzene
CID 642190

Frequently Asked Questions

What is the IUPAC name of (1,5-dichloro-2-methylpentyl)benzene?
The IUPAC name of (1,5-dichloro-2-methylpentyl)benzene (CID 174512568) is (1,5-dichloro-2-methylpentyl)benzene.
What is the SMILES notation for (1,5-dichloro-2-methylpentyl)benzene?
The canonical SMILES for (1,5-dichloro-2-methylpentyl)benzene is CC(CCCCl)C(Cl)c1ccccc1.
What is the InChIKey of (1,5-dichloro-2-methylpentyl)benzene?
The InChIKey is PMMVCGQFCBJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3.
What are the key properties of (1,5-dichloro-2-methylpentyl)benzene?
(1,5-dichloro-2-methylpentyl)benzene has a molecular weight of 231.17 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dichloro-2-methylpentyl)benzene is sourced from PubChem (CID 174512568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).