(1-chloro-7-methyloctyl)benzene

C15H23Cl — CID 83169221

IUPAC(1-chloro-7-methyloctyl)benzene
SMILESCC(C)CCCCCC(Cl)c1ccccc1
InChIInChI=1S/C15H23Cl/c1-13(2)9-5-3-8-12-15(16)14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3
InChIKeyBBAAFEBLTNWHPF-UHFFFAOYSA-N
MW238.80 g/mol
LogP5.57
Rot. Bonds7

About (1-chloro-7-methyloctyl)benzene

(1-chloro-7-methyloctyl)benzene (PubChem CID 83169221) has the molecular formula C15H23Cl and a molecular weight of 238.80 g/mol. Its IUPAC name is (1-chloro-7-methyloctyl)benzene.

Molecular Properties

Compound Name(1-chloro-7-methyloctyl)benzene
PubChem CID83169221
Molecular FormulaC15H23Cl
Molecular Weight238.80 g/mol
Exact Mass238.15
IUPAC Name(1-chloro-7-methyloctyl)benzene
SMILESCC(C)CCCCCC(Cl)c1ccccc1
InChIInChI=1S/C15H23Cl/c1-13(2)9-5-3-8-12-15(16)14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3
InChIKeyBBAAFEBLTNWHPF-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

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1-(1-chlorooctyl)-4-propan-2-ylbenzene
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CID 63429246
7-methyl-2-phenyloctanoic acid
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N'-(7-methyloctyl)-1-phenylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of (1-chloro-7-methyloctyl)benzene?
The IUPAC name of (1-chloro-7-methyloctyl)benzene (CID 83169221) is (1-chloro-7-methyloctyl)benzene.
What is the SMILES notation for (1-chloro-7-methyloctyl)benzene?
The canonical SMILES for (1-chloro-7-methyloctyl)benzene is CC(C)CCCCCC(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-7-methyloctyl)benzene?
The InChIKey is BBAAFEBLTNWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl/c1-13(2)9-5-3-8-12-15(16)14-10-6-4-7-11-14/h4,6-7,10-11,13,15H,3,5,8-9,12H2,1-2H3.
What are the key properties of (1-chloro-7-methyloctyl)benzene?
(1-chloro-7-methyloctyl)benzene has a molecular weight of 238.80 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-7-methyloctyl)benzene is sourced from PubChem (CID 83169221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).