1-chloro-2-propan-2-ylcyclobutane

C7H13Cl — CID 174662999

IUPAC1-chloro-2-propan-2-ylcyclobutane
SMILESCC(C)C1CCC1Cl
InChIInChI=1S/C7H13Cl/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3
InChIKeyKEZFNEFMEXUHGJ-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.66
Rot. Bonds1

About 1-chloro-2-propan-2-ylcyclobutane

1-chloro-2-propan-2-ylcyclobutane (PubChem CID 174662999) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylcyclobutane.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylcyclobutane
PubChem CID174662999
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-chloro-2-propan-2-ylcyclobutane
SMILESCC(C)C1CCC1Cl
InChIInChI=1S/C7H13Cl/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3
InChIKeyKEZFNEFMEXUHGJ-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.66
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

trans-(1R,2S)-1-chloro-2-propan-2-ylcyclopentane
CID 172588830
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
2-chloro-4-methyl-1-propan-2-ylcyclohexane;[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 157349936
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
CID 153486218
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
1-(2-propan-2-ylcyclobutyl)ethanamine
CID 147498269
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2,5-dichloro-4-propan-2-ylpiperidine
CID 130205385

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylcyclobutane?
The IUPAC name of 1-chloro-2-propan-2-ylcyclobutane (CID 174662999) is 1-chloro-2-propan-2-ylcyclobutane.
What is the SMILES notation for 1-chloro-2-propan-2-ylcyclobutane?
The canonical SMILES for 1-chloro-2-propan-2-ylcyclobutane is CC(C)C1CCC1Cl.
What is the InChIKey of 1-chloro-2-propan-2-ylcyclobutane?
The InChIKey is KEZFNEFMEXUHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylcyclobutane?
1-chloro-2-propan-2-ylcyclobutane has a molecular weight of 132.63 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylcyclobutane is sourced from PubChem (CID 174662999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).