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

C9H17Cl — CID 131133771

IUPAC1-(1-chloropropyl)-2,3-dimethylcyclobutane
SMILESCCC(Cl)C1CC(C)C1C
InChIInChI=1S/C9H17Cl/c1-4-9(10)8-5-6(2)7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyWQHMUDHPZWSCME-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.30
Rot. Bonds2

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

1-(1-chloropropyl)-2,3-dimethylcyclobutane (PubChem CID 131133771) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 1-(1-chloropropyl)-2,3-dimethylcyclobutane.

Molecular Properties

Compound Name1-(1-chloropropyl)-2,3-dimethylcyclobutane
PubChem CID131133771
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name1-(1-chloropropyl)-2,3-dimethylcyclobutane
SMILESCCC(Cl)C1CC(C)C1C
InChIInChI=1S/C9H17Cl/c1-4-9(10)8-5-6(2)7(8)3/h6-9H,4-5H2,1-3H3
InChIKeyWQHMUDHPZWSCME-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.30
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-dimethylcyclohexane
CID 79307395
1,2-dimethyl-3-(4-methylhexan-2-yl)cyclobutane
CID 123367002
1,2-dimethyl-3-pentan-2-ylcyclobutane
CID 123945019
1-(2,5-dimethylheptan-3-yl)-2,3-dimethylcyclobutane
CID 123429129
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
4-(1-chloropropyl)-1,2-dimethylcyclohexane
CID 79307796
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578
1-methyl-2-pent-1-en-3-ylcyclopropane
CID 91325896
2-(2,3-dimethylcyclobutyl)-N-methylhexan-3-imine
CID 123705318
bis(3-methylhexane);1,2,3-trimethylcyclobutane
CID 162022066
1,2-dimethyl-3-pent-3-en-2-ylcyclobutane
CID 123364191
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloropropyl)-2,3-dimethylcyclobutane?
The IUPAC name of 1-(1-chloropropyl)-2,3-dimethylcyclobutane (CID 131133771) is 1-(1-chloropropyl)-2,3-dimethylcyclobutane.
What is the SMILES notation for 1-(1-chloropropyl)-2,3-dimethylcyclobutane?
The canonical SMILES for 1-(1-chloropropyl)-2,3-dimethylcyclobutane is CCC(Cl)C1CC(C)C1C.
What is the InChIKey of 1-(1-chloropropyl)-2,3-dimethylcyclobutane?
The InChIKey is WQHMUDHPZWSCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-4-9(10)8-5-6(2)7(8)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-(1-chloropropyl)-2,3-dimethylcyclobutane?
1-(1-chloropropyl)-2,3-dimethylcyclobutane has a molecular weight of 160.69 g/mol, XLogP of 3.30, 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-dimethylcyclobutane is sourced from PubChem (CID 131133771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).