1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane

C11H19Cl — CID 165442798

IUPAC1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
SMILESC=CCCCC1(CCl)CC(C)C1
InChIInChI=1S/C11H19Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h3,10H,1,4-9H2,2H3
InChIKeyVOZKILASWBENBO-UHFFFAOYSA-N
MW186.73 g/mol
LogP4.00
Rot. Bonds5

About 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane

1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane (PubChem CID 165442798) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
PubChem CID165442798
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane
SMILESC=CCCCC1(CCl)CC(C)C1
InChIInChI=1S/C11H19Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h3,10H,1,4-9H2,2H3
InChIKeyVOZKILASWBENBO-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795
4-(chloromethyl)-4-pent-4-enylcyclopentene
CID 165443647
3-but-3-enyl-3-(chloromethyl)bicyclo[3.1.0]hexane
CID 165443200
trans-(1R,2R)-1-methyl-2-pent-4-enylcyclopropan-1-ol
CID 68751280
(1R,2R,4S)-2-but-3-enyl-2,4-dimethylcyclopentan-1-ol
CID 130831750
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
CID 165442803
1-hept-6-enyl-2-methylcyclopropane
CID 173435443
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366
1-(chloromethyl)-1,3-dimethylcyclobutane
CID 164652418
3-chloro-1-hept-6-enyl-1-methylcyclopentane
CID 107010557
1-pent-4-enylcyclopropane-1-carbaldehyde
CID 126997266

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane?
The IUPAC name of 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane (CID 165442798) is 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane?
The canonical SMILES for 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane is C=CCCCC1(CCl)CC(C)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane?
The InChIKey is VOZKILASWBENBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-3-4-5-6-11(9-12)7-10(2)8-11/h3,10H,1,4-9H2,2H3.
What are the key properties of 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane?
1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane has a molecular weight of 186.73 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-1-pent-4-enylcyclobutane is sourced from PubChem (CID 165442798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).