[4-(chloromethyl)-4-methylheptyl]benzene

C15H23Cl — CID 66036487

IUPAC[4-(chloromethyl)-4-methylheptyl]benzene
SMILESCCCC(C)(CCl)CCCc1ccccc1
InChIInChI=1S/C15H23Cl/c1-3-11-15(2,13-16)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyFZUJITWRFYOMFI-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.05
Rot. Bonds7

About [4-(chloromethyl)-4-methylheptyl]benzene

[4-(chloromethyl)-4-methylheptyl]benzene (PubChem CID 66036487) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is [4-(chloromethyl)-4-methylheptyl]benzene.

Molecular Properties

Compound Name[4-(chloromethyl)-4-methylheptyl]benzene
PubChem CID66036487
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name[4-(chloromethyl)-4-methylheptyl]benzene
SMILESCCCC(C)(CCl)CCCc1ccccc1
InChIInChI=1S/C15H23Cl/c1-3-11-15(2,13-16)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3
InChIKeyFZUJITWRFYOMFI-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.80
LogP ≤ 55.05
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-chloro-4,4-dimethylpentyl)benzene
CID 66059754
4-methyl-1-phenylheptan-4-ol
CID 67874665
dichlorophosphane;octylbenzene
CID 173449895
1,1-dichloroethane;pentylbenzene
CID 158559289
2-fluoro-5-phenyl-2-propylpentan-1-amine
CID 112567709
(5,5,5-trifluoro-4,4-dimethylpentyl)benzene
CID 145046793
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
CID 55107021
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)-4-methylheptyl]benzene?
The IUPAC name of [4-(chloromethyl)-4-methylheptyl]benzene (CID 66036487) is [4-(chloromethyl)-4-methylheptyl]benzene.
What is the SMILES notation for [4-(chloromethyl)-4-methylheptyl]benzene?
The canonical SMILES for [4-(chloromethyl)-4-methylheptyl]benzene is CCCC(C)(CCl)CCCc1ccccc1.
What is the InChIKey of [4-(chloromethyl)-4-methylheptyl]benzene?
The InChIKey is FZUJITWRFYOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-3-11-15(2,13-16)12-7-10-14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3.
What are the key properties of [4-(chloromethyl)-4-methylheptyl]benzene?
[4-(chloromethyl)-4-methylheptyl]benzene has a molecular weight of 238.80 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)-4-methylheptyl]benzene is sourced from PubChem (CID 66036487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).