1-(bromomethyl)-1-prop-2-enylcyclohexane

C10H17Br — CID 67741470

IUPAC1-(bromomethyl)-1-prop-2-enylcyclohexane
SMILESC=CCC1(CBr)CCCCC1
InChIInChI=1S/C10H17Br/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9H2
InChIKeyBVRCZZQKEISBEV-UHFFFAOYSA-N
MW217.15 g/mol
LogP3.91
Rot. Bonds3

About 1-(bromomethyl)-1-prop-2-enylcyclohexane

1-(bromomethyl)-1-prop-2-enylcyclohexane (PubChem CID 67741470) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is 1-(bromomethyl)-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-(bromomethyl)-1-prop-2-enylcyclohexane
PubChem CID67741470
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name1-(bromomethyl)-1-prop-2-enylcyclohexane
SMILESC=CCC1(CBr)CCCCC1
InChIInChI=1S/C10H17Br/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9H2
InChIKeyBVRCZZQKEISBEV-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-prop-2-enylcyclohexane?
The IUPAC name of 1-(bromomethyl)-1-prop-2-enylcyclohexane (CID 67741470) is 1-(bromomethyl)-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-(bromomethyl)-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-(bromomethyl)-1-prop-2-enylcyclohexane is C=CCC1(CBr)CCCCC1.
What is the InChIKey of 1-(bromomethyl)-1-prop-2-enylcyclohexane?
The InChIKey is BVRCZZQKEISBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Br/c1-2-6-10(9-11)7-4-3-5-8-10/h2H,1,3-9H2.
What are the key properties of 1-(bromomethyl)-1-prop-2-enylcyclohexane?
1-(bromomethyl)-1-prop-2-enylcyclohexane has a molecular weight of 217.15 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-prop-2-enylcyclohexane is sourced from PubChem (CID 67741470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).