1-(1-chloropropyl)-2,3-dimethylcyclohexane

C11H21Cl — CID 79307395

IUPAC1-(1-chloropropyl)-2,3-dimethylcyclohexane
SMILESCCC(Cl)C1CCCC(C)C1C
InChIInChI=1S/C11H21Cl/c1-4-11(12)10-7-5-6-8(2)9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyBUDGFVLPJGSQOA-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.08
Rot. Bonds2

About 1-(1-chloropropyl)-2,3-dimethylcyclohexane

1-(1-chloropropyl)-2,3-dimethylcyclohexane (PubChem CID 79307395) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-(1-chloropropyl)-2,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-(1-chloropropyl)-2,3-dimethylcyclohexane
PubChem CID79307395
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-(1-chloropropyl)-2,3-dimethylcyclohexane
SMILESCCC(Cl)C1CCCC(C)C1C
InChIInChI=1S/C11H21Cl/c1-4-11(12)10-7-5-6-8(2)9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyBUDGFVLPJGSQOA-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.08
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-(1-chloropropyl)-2,3-dimethylcyclobutane
CID 131133771
1-(2-methylcyclopentyl)propylphosphane
CID 176966789
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
1-chloropropylcyclopropane;methane
CID 174336736
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
1-(2-methylcyclohexyl)propan-1-amine
CID 79307565
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
(2S)-2,3-dimethylcyclohexan-1-ol
CID 163715322
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropyl)-2,3-dimethylcyclohexane?
The IUPAC name of 1-(1-chloropropyl)-2,3-dimethylcyclohexane (CID 79307395) is 1-(1-chloropropyl)-2,3-dimethylcyclohexane.
What is the SMILES notation for 1-(1-chloropropyl)-2,3-dimethylcyclohexane?
The canonical SMILES for 1-(1-chloropropyl)-2,3-dimethylcyclohexane is CCC(Cl)C1CCCC(C)C1C.
What is the InChIKey of 1-(1-chloropropyl)-2,3-dimethylcyclohexane?
The InChIKey is BUDGFVLPJGSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-4-11(12)10-7-5-6-8(2)9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-(1-chloropropyl)-2,3-dimethylcyclohexane?
1-(1-chloropropyl)-2,3-dimethylcyclohexane has a molecular weight of 188.74 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloropropyl)-2,3-dimethylcyclohexane is sourced from PubChem (CID 79307395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).