(5-chloro-4,4-dimethylpentyl)benzene

C13H19Cl — CID 66059754

IUPAC(5-chloro-4,4-dimethylpentyl)benzene
SMILESCC(C)(CCl)CCCc1ccccc1
InChIInChI=1S/C13H19Cl/c1-13(2,11-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyVYJOVAHGWLJNLO-UHFFFAOYSA-N
MW210.75 g/mol
LogP4.27
Rot. Bonds5

About (5-chloro-4,4-dimethylpentyl)benzene

(5-chloro-4,4-dimethylpentyl)benzene (PubChem CID 66059754) has the molecular formula C13H19Cl and a molecular weight of 210.75 g/mol. Its IUPAC name is (5-chloro-4,4-dimethylpentyl)benzene.

Molecular Properties

Compound Name(5-chloro-4,4-dimethylpentyl)benzene
PubChem CID66059754
Molecular FormulaC13H19Cl
Molecular Weight210.75 g/mol
Exact Mass210.12
IUPAC Name(5-chloro-4,4-dimethylpentyl)benzene
SMILESCC(C)(CCl)CCCc1ccccc1
InChIInChI=1S/C13H19Cl/c1-13(2,11-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyVYJOVAHGWLJNLO-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 54.27
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

[4-(chloromethyl)-4-methylheptyl]benzene
CID 66036487
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
27,27-dimethyloctacosylbenzene
CID 140589361
N-(3-chloro-2,2-dimethylpropyl)-3-phenylpropanamide
CID 115364651
1,3-dichloro-2-methyl-N-(4-phenylbutyl)propan-2-amine
CID 114334733
4-chlorobutylbenzene;ethane
CID 142108519
N-(3-chloro-2,2-dimethylpropyl)-2-phenylethanesulfonamide
CID 113295116
4-phenylbutylbenzene
CID 141301927
2-methyl-6-phenylhexan-2-ol
CID 12716611

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4,4-dimethylpentyl)benzene?
The IUPAC name of (5-chloro-4,4-dimethylpentyl)benzene (CID 66059754) is (5-chloro-4,4-dimethylpentyl)benzene.
What is the SMILES notation for (5-chloro-4,4-dimethylpentyl)benzene?
The canonical SMILES for (5-chloro-4,4-dimethylpentyl)benzene is CC(C)(CCl)CCCc1ccccc1.
What is the InChIKey of (5-chloro-4,4-dimethylpentyl)benzene?
The InChIKey is VYJOVAHGWLJNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl/c1-13(2,11-14)10-6-9-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of (5-chloro-4,4-dimethylpentyl)benzene?
(5-chloro-4,4-dimethylpentyl)benzene has a molecular weight of 210.75 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4,4-dimethylpentyl)benzene is sourced from PubChem (CID 66059754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).