1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane

C14H25Br — CID 64728555

IUPAC1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(CCC(Br)C2CC2)C1
InChIInChI=1S/C14H25Br/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h10-14H,3-9H2,1-2H3
InChIKeyPFMSEANUSHAAPL-UHFFFAOYSA-N
MW273.26 g/mol
LogP5.01
Rot. Bonds4

About 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane

1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane (PubChem CID 64728555) has the molecular formula C14H25Br and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane
PubChem CID64728555
Molecular FormulaC14H25Br
Molecular Weight273.26 g/mol
Exact Mass272.11
IUPAC Name1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane
SMILESCC1CC(C)CC(CCC(Br)C2CC2)C1
InChIInChI=1S/C14H25Br/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h10-14H,3-9H2,1-2H3
InChIKeyPFMSEANUSHAAPL-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.26
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane?
The IUPAC name of 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane (CID 64728555) is 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane.
What is the SMILES notation for 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane?
The canonical SMILES for 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane is CC1CC(C)CC(CCC(Br)C2CC2)C1.
What is the InChIKey of 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane?
The InChIKey is PFMSEANUSHAAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Br/c1-10-7-11(2)9-12(8-10)3-6-14(15)13-4-5-13/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane?
1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane has a molecular weight of 273.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-3-cyclopropylpropyl)-3,5-dimethylcyclohexane is sourced from PubChem (CID 64728555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).