3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane

C11H17Cl — CID 165443200

IUPAC3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane
SMILESC=CCCC1(CCl)CC2CC2C1
InChIInChI=1S/C11H17Cl/c1-2-3-4-11(8-12)6-9-5-10(9)7-11/h2,9-10H,1,3-8H2
InChIKeySUWDKHKWKNKRCP-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.61
Rot. Bonds4

About 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane

3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane (PubChem CID 165443200) has the molecular formula C11H17Cl and a molecular weight of 184.71 g/mol. Its IUPAC name is 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane
PubChem CID165443200
Molecular FormulaC11H17Cl
Molecular Weight184.71 g/mol
Exact Mass184.10
IUPAC Name3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane
SMILESC=CCCC1(CCl)CC2CC2C1
InChIInChI=1S/C11H17Cl/c1-2-3-4-11(8-12)6-9-5-10(9)7-11/h2,9-10H,1,3-8H2
InChIKeySUWDKHKWKNKRCP-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[5-Chloro-1-(2-ethenylcyclopropyl)pentyl]cyclopentane
CID 145240186
1-(Chloromethyl)-1-(prop-2-en-1-yl)cyclohexane
CID 130632146
3-(Chloromethyl)-3-(prop-2-en-1-yl)bicyclo[3.1.0]hexane
CID 131177636
1-(Chloromethyl)-1-(pent-4-en-2-yl)cyclopentane
CID 165443098
1-(But-3-en-1-yl)-1-(chloromethyl)cyclohexane
CID 165443201
3-(Chloromethyl)-3-(2-chloroprop-2-en-1-yl)bicyclo[3.1.0]hexane
CID 165445671
(1-Chloro-2-methylhept-6-en-2-yl)cyclopropane
CID 165718520
3-(Chloromethyl)-3-(2-methylprop-2-en-1-yl)bicyclo[3.1.0]hexane
CID 165750283
1-(Chloromethyl)-2-methyl-1-(pent-4-en-1-yl)cyclopropane
CID 165793478

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane?
The IUPAC name of 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane (CID 165443200) is 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane is C=CCCC1(CCl)CC2CC2C1.
What is the InChIKey of 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane?
The InChIKey is SUWDKHKWKNKRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17Cl/c1-2-3-4-11(8-12)6-9-5-10(9)7-11/h2,9-10H,1,3-8H2.
What are the key properties of 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane?
3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane has a molecular weight of 184.71 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 165443200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).