1,6-dichloro-5,6-dimethylheptane

C9H18Cl2 — CID 150904715

IUPAC1,6-dichloro-5,6-dimethylheptane
SMILESCC(CCCCCl)C(C)(C)Cl
InChIInChI=1S/C9H18Cl2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7H2,1-3H3
InChIKeyLASRIAJQXCRHKK-UHFFFAOYSA-N
MW197.15 g/mol
LogP4.05
Rot. Bonds5

About 1,6-dichloro-5,6-dimethylheptane

1,6-dichloro-5,6-dimethylheptane (PubChem CID 150904715) has the molecular formula C9H18Cl2 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1,6-dichloro-5,6-dimethylheptane.

Molecular Properties

Compound Name1,6-dichloro-5,6-dimethylheptane
PubChem CID150904715
Molecular FormulaC9H18Cl2
Molecular Weight197.15 g/mol
Exact Mass196.08
IUPAC Name1,6-dichloro-5,6-dimethylheptane
SMILESCC(CCCCCl)C(C)(C)Cl
InChIInChI=1S/C9H18Cl2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7H2,1-3H3
InChIKeyLASRIAJQXCRHKK-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 54.05
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

2-chloro-2,3-dimethyltridecane
CID 87222996
2-chloro-2,3-dimethylnonane
CID 87897655
azane;5-bromo-1-chloro-5,6-dimethylhexadecane
CID 87853474
1,7-dichloro-3-methylheptane
CID 175072872
2-chloro-2,3-dimethylhexane;cyclohexane
CID 175373008
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
1,8-dichloro-2-methyloctane
CID 154320293
6-chlorohexan-2-yloxysilane
CID 173272103
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
(3S)-7-chloro-3-methylheptan-1-ol
CID 139766847
1,7-dichloro-4-methylheptane
CID 175347315

Frequently Asked Questions

What is the IUPAC name of 1,6-dichloro-5,6-dimethylheptane?
The IUPAC name of 1,6-dichloro-5,6-dimethylheptane (CID 150904715) is 1,6-dichloro-5,6-dimethylheptane.
What is the SMILES notation for 1,6-dichloro-5,6-dimethylheptane?
The canonical SMILES for 1,6-dichloro-5,6-dimethylheptane is CC(CCCCCl)C(C)(C)Cl.
What is the InChIKey of 1,6-dichloro-5,6-dimethylheptane?
The InChIKey is LASRIAJQXCRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2/c1-8(9(2,3)11)6-4-5-7-10/h8H,4-7H2,1-3H3.
What are the key properties of 1,6-dichloro-5,6-dimethylheptane?
1,6-dichloro-5,6-dimethylheptane has a molecular weight of 197.15 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-5,6-dimethylheptane is sourced from PubChem (CID 150904715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).