1,8-dichloro-2-methyloctane

C9H18Cl2 — CID 154320293

IUPAC1,8-dichloro-2-methyloctane
SMILESCC(CCl)CCCCCCCl
InChIInChI=1S/C9H18Cl2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8H2,1H3
InChIKeyLAWFJBUAJRVQDV-UHFFFAOYSA-N
MW197.15 g/mol
LogP4.05
Rot. Bonds7

About 1,8-dichloro-2-methyloctane

1,8-dichloro-2-methyloctane (PubChem CID 154320293) has the molecular formula C9H18Cl2 and a molecular weight of 197.15 g/mol. Its IUPAC name is 1,8-dichloro-2-methyloctane.

Molecular Properties

Compound Name1,8-dichloro-2-methyloctane
PubChem CID154320293
Molecular FormulaC9H18Cl2
Molecular Weight197.15 g/mol
Exact Mass196.08
IUPAC Name1,8-dichloro-2-methyloctane
SMILESCC(CCl)CCCCCCCl
InChIInChI=1S/C9H18Cl2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8H2,1H3
InChIKeyLAWFJBUAJRVQDV-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
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

1,7-dichloro-3-methylheptane
CID 175072872
(2S)-8-chloro-2-methyloctan-1-ol
CID 139766830
1,7-dichloro-4-methylheptane
CID 175347315
(3S)-7-chloro-3-methylheptan-1-ol
CID 139766847
1-chloro-4-methylhexadecane
CID 88652760
(2R)-9-chlorononan-2-ol
CID 139766902
10-chlorodecan-2-ol
CID 139625659
magnesium;1-chloro-2-methylhexane;hydride
CID 173396066
1-chloro-2-methyl-6-methylsulfonylhexane
CID 64666944
CID 175745189
CID 175745189
1,6-dichloro-5,6-dimethylheptane
CID 150904715
(5S)-7-chloro-5-methylheptan-1-ol
CID 139766924

Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-2-methyloctane?
The IUPAC name of 1,8-dichloro-2-methyloctane (CID 154320293) is 1,8-dichloro-2-methyloctane.
What is the SMILES notation for 1,8-dichloro-2-methyloctane?
The canonical SMILES for 1,8-dichloro-2-methyloctane is CC(CCl)CCCCCCCl.
What is the InChIKey of 1,8-dichloro-2-methyloctane?
The InChIKey is LAWFJBUAJRVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8H2,1H3.
What are the key properties of 1,8-dichloro-2-methyloctane?
1,8-dichloro-2-methyloctane has a molecular weight of 197.15 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-2-methyloctane is sourced from PubChem (CID 154320293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).