1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane

C10H17Br — CID 165442832

IUPAC1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
SMILESCC(C)=CCCC1(CBr)CC1
InChIInChI=1S/C10H17Br/c1-9(2)4-3-5-10(8-11)6-7-10/h4H,3,5-8H2,1-2H3
InChIKeyHXLLRJNFYFHGJC-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds4

About 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane

1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane (PubChem CID 165442832) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
PubChem CID165442832
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane
SMILESCC(C)=CCCC1(CBr)CC1
InChIInChI=1S/C10H17Br/c1-9(2)4-3-5-10(8-11)6-7-10/h4H,3,5-8H2,1-2H3
InChIKeyHXLLRJNFYFHGJC-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.91
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

(2S)-3-(bromomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 121298365
(1S,5R)-6-methyl-6-(4-methylpent-3-enyl)-3-oxabicyclo[3.1.0]hexane
CID 101410501
2-[(1R)-3,4-dimethyl-1-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]acetaldehyde
CID 118393078
1-[(1R,2R)-2-hydroxy-1-(4-methylpent-3-enyl)cyclohexyl]ethanone
CID 102050999
2,3,5-trimethyl-6-[2-[1-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclopropyl]ethyl]cyclohexa-2,5-diene-1,4-dione
CID 144515239
[1-(3-methylbut-2-enyl)cyclopropyl]methanamine
CID 130515255
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
[(3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methanol
CID 101259052
2,5-dimethyl-5-(4-methylpent-3-enyl)bicyclo[4.1.0]heptan-2-ol
CID 85361278
formaldehyde;2-[1-(3-methylbut-2-enyl)cyclopropyl]acetaldehyde
CID 87279246
cis-(1R,2R)-2-(iodomethyl)-1-methyl-1-(4-methylpent-3-enyl)cyclopropane
CID 102318246
(2R,3S)-3-(iodomethyl)-2-methyl-2-(4-methylpent-3-enyl)oxirane
CID 11425969

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane (CID 165442832) is 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane is CC(C)=CCCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane?
The InChIKey is HXLLRJNFYFHGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-9(2)4-3-5-10(8-11)6-7-10/h4H,3,5-8H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane?
1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4-methylpent-3-enyl)cyclopropane is sourced from PubChem (CID 165442832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).