1,3-dichloro-5-(4-methylpentyl)benzene

C12H16Cl2 — CID 20672445

IUPAC1,3-dichloro-5-(4-methylpentyl)benzene
SMILESCC(C)CCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2/c1-9(2)4-3-5-10-6-11(13)8-12(14)7-10/h6-9H,3-5H2,1-2H3
InChIKeyXIAMLGVPIJFENO-UHFFFAOYSA-N
MW231.17 g/mol
LogP4.97
Rot. Bonds4

About 1,3-dichloro-5-(4-methylpentyl)benzene

1,3-dichloro-5-(4-methylpentyl)benzene (PubChem CID 20672445) has the molecular formula C12H16Cl2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 1,3-dichloro-5-(4-methylpentyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(4-methylpentyl)benzene
PubChem CID20672445
Molecular FormulaC12H16Cl2
Molecular Weight231.17 g/mol
Exact Mass230.06
IUPAC Name1,3-dichloro-5-(4-methylpentyl)benzene
SMILESCC(C)CCCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H16Cl2/c1-9(2)4-3-5-10-6-11(13)8-12(14)7-10/h6-9H,3-5H2,1-2H3
InChIKeyXIAMLGVPIJFENO-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(4-methylpentyl)benzene?
The IUPAC name of 1,3-dichloro-5-(4-methylpentyl)benzene (CID 20672445) is 1,3-dichloro-5-(4-methylpentyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(4-methylpentyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(4-methylpentyl)benzene is CC(C)CCCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(4-methylpentyl)benzene?
The InChIKey is XIAMLGVPIJFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2/c1-9(2)4-3-5-10-6-11(13)8-12(14)7-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 1,3-dichloro-5-(4-methylpentyl)benzene?
1,3-dichloro-5-(4-methylpentyl)benzene has a molecular weight of 231.17 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(4-methylpentyl)benzene is sourced from PubChem (CID 20672445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).