1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane

C10H17BrO — CID 114470048

IUPAC1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane
SMILESC=C(C)CCOCC1(CBr)CC1
InChIInChI=1S/C10H17BrO/c1-9(2)3-6-12-8-10(7-11)4-5-10/h1,3-8H2,2H3
InChIKeyHRXDXYRFGIMZKL-UHFFFAOYSA-N
MW233.15 g/mol
LogP3.14
Rot. Bonds6

About 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane

1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane (PubChem CID 114470048) has the molecular formula C10H17BrO and a molecular weight of 233.15 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane
PubChem CID114470048
Molecular FormulaC10H17BrO
Molecular Weight233.15 g/mol
Exact Mass232.05
IUPAC Name1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane
SMILESC=C(C)CCOCC1(CBr)CC1
InChIInChI=1S/C10H17BrO/c1-9(2)3-6-12-8-10(7-11)4-5-10/h1,3-8H2,2H3
InChIKeyHRXDXYRFGIMZKL-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopentane
CID 114470059
2-[1-(3-methylbut-3-enoxymethyl)cyclopropyl]acetonitrile
CID 114470226
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
CID 65008372
1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane
CID 82955826
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
CID 77052712
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075155
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane (CID 114470048) is 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane is C=C(C)CCOCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane?
The InChIKey is HRXDXYRFGIMZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrO/c1-9(2)3-6-12-8-10(7-11)4-5-10/h1,3-8H2,2H3.
What are the key properties of 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane?
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane has a molecular weight of 233.15 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane is sourced from PubChem (CID 114470048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).