1,7-dichloro-4-methylheptane

C8H16Cl2 — CID 175347315

IUPAC1,7-dichloro-4-methylheptane
SMILESCC(CCCCl)CCCCl
InChIInChI=1S/C8H16Cl2/c1-8(4-2-6-9)5-3-7-10/h8H,2-7H2,1H3
InChIKeyRIWPUNRVPQWPBE-UHFFFAOYSA-N
MW183.12 g/mol
LogP3.66
Rot. Bonds6

About 1,7-dichloro-4-methylheptane

1,7-dichloro-4-methylheptane (PubChem CID 175347315) has the molecular formula C8H16Cl2 and a molecular weight of 183.12 g/mol. Its IUPAC name is 1,7-dichloro-4-methylheptane.

Molecular Properties

Compound Name1,7-dichloro-4-methylheptane
PubChem CID175347315
Molecular FormulaC8H16Cl2
Molecular Weight183.12 g/mol
Exact Mass182.06
IUPAC Name1,7-dichloro-4-methylheptane
SMILESCC(CCCCl)CCCCl
InChIInChI=1S/C8H16Cl2/c1-8(4-2-6-9)5-3-7-10/h8H,2-7H2,1H3
InChIKeyRIWPUNRVPQWPBE-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.12
LogP ≤ 53.66
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

1,7-dichloro-3-methylheptane
CID 175072872
1-chloro-4-methylhexadecane
CID 88652760
(3S)-7-chloro-3-methylheptan-1-ol
CID 139766847
1,8-dichloro-2-methyloctane
CID 154320293
CID 175745189
CID 175745189
(2S)-5-chloropentan-2-ol
CID 12659782
(7-chloro-4-methyl-1-phenylheptyl)benzene
CID 174655808
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
(5S)-7-chloro-5-methylheptan-1-ol
CID 139766924
(2R)-5-chloro-N-methylpentan-2-amine
CID 129120324
1-chloro-3,8,8-trimethylnonane
CID 170172988
3,6-dichlorohexan-2-ylsilane
CID 173228280

Frequently Asked Questions

What is the IUPAC name of 1,7-dichloro-4-methylheptane?
The IUPAC name of 1,7-dichloro-4-methylheptane (CID 175347315) is 1,7-dichloro-4-methylheptane.
What is the SMILES notation for 1,7-dichloro-4-methylheptane?
The canonical SMILES for 1,7-dichloro-4-methylheptane is CC(CCCCl)CCCCl.
What is the InChIKey of 1,7-dichloro-4-methylheptane?
The InChIKey is RIWPUNRVPQWPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2/c1-8(4-2-6-9)5-3-7-10/h8H,2-7H2,1H3.
What are the key properties of 1,7-dichloro-4-methylheptane?
1,7-dichloro-4-methylheptane has a molecular weight of 183.12 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dichloro-4-methylheptane is sourced from PubChem (CID 175347315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).