1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane

C10H19Br — CID 130507145

IUPAC1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane
SMILESCC(C1CC1CBr)C(C)(C)C
InChIInChI=1S/C10H19Br/c1-7(10(2,3)4)9-5-8(9)6-11/h7-9H,5-6H2,1-4H3
InChIKeyIPEXFBJXZKQDQX-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.70
Rot. Bonds2

About 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane

1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane (PubChem CID 130507145) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane
PubChem CID130507145
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane
SMILESCC(C1CC1CBr)C(C)(C)C
InChIInChI=1S/C10H19Br/c1-7(10(2,3)4)9-5-8(9)6-11/h7-9H,5-6H2,1-4H3
InChIKeyIPEXFBJXZKQDQX-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.70
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-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938
(1S)-1,2-bis(bromomethyl)cyclopropane
CID 90178479
1,2,4,5-tetrakis(bromomethyl)cyclohexane
CID 126505487
2-(3,3-dimethylbutan-2-yl)-4-(2,2-dimethylpropyl)cyclopentan-1-ol
CID 71057420
3,3-dimethylbutan-2-ylcyclopropane
CID 13275215
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
4-(bromomethyl)-2-tert-butyl-6-methylpiperidin-1-ium-3-olate
CID 163161758
1-propan-2-yl-2-(2,2,4-trimethylpentyl)cyclopropane
CID 59279852
1-(3,4-dimethylpentan-2-yl)-2-ethylcyclopropane
CID 90998982
(2S)-1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]cyclopropyl]propan-2-ol
CID 155439190
cis-tert-butyl (1R,2R)-2-(bromomethyl)cyclopropane-1-carboxylate
CID 155978160

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane (CID 130507145) is 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane is CC(C1CC1CBr)C(C)(C)C.
What is the InChIKey of 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane?
The InChIKey is IPEXFBJXZKQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-7(10(2,3)4)9-5-8(9)6-11/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane?
1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane has a molecular weight of 219.17 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(3,3-dimethylbutan-2-yl)cyclopropane is sourced from PubChem (CID 130507145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).