2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane

C10H17Cl — CID 130526320

IUPAC2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)C(Cl)C1CCC2CC21
InChIInChI=1S/C10H17Cl/c1-6(2)10(11)8-4-3-7-5-9(7)8/h6-10H,3-5H2,1-2H3
InChIKeyDWCDEEWIPFCCJG-UHFFFAOYSA-N
MW172.70 g/mol
LogP3.30
Rot. Bonds2

About 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane

2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane (PubChem CID 130526320) has the molecular formula C10H17Cl and a molecular weight of 172.70 g/mol. Its IUPAC name is 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane
PubChem CID130526320
Molecular FormulaC10H17Cl
Molecular Weight172.70 g/mol
Exact Mass172.10
IUPAC Name2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)C(Cl)C1CCC2CC21
InChIInChI=1S/C10H17Cl/c1-6(2)10(11)8-4-3-7-5-9(7)8/h6-10H,3-5H2,1-2H3
InChIKeyDWCDEEWIPFCCJG-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.70
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

2-(dichloromethyl)bicyclo[3.1.0]hexane
CID 74080597
(1R)-1-cyclopropyl-2-(dichloromethyl)cyclopropane
CID 89470038
1-(2-cyclopropylcyclopropyl)ethanol
CID 130149488
1-(2-cyclopropylcyclopropyl)ethanamine
CID 62313265
1-(2-bicyclo[2.1.0]pentanyl)-2-methylpropan-1-ol
CID 89099272
(2R,7R)-2,7-bis(2,4-dimethylpentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-diol
CID 170528430
CID 90903151
CID 90903151
2,5-di(propan-2-yl)bicyclo[2.2.2]octane
CID 140828495
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
CID 79298659
(1S,2R,6R)-2-(dibromomethyl)bicyclo[4.1.0]heptane
CID 101447232
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane?
The IUPAC name of 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane (CID 130526320) is 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane is CC(C)C(Cl)C1CCC2CC21.
What is the InChIKey of 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane?
The InChIKey is DWCDEEWIPFCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl/c1-6(2)10(11)8-4-3-7-5-9(7)8/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane?
2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane has a molecular weight of 172.70 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 2-(1-chloro-2-methylpropyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 130526320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).