1-[(E)-2-bromoethenyl]-3-methylcyclohexane

C9H15Br — CID 165470993

IUPAC1-[(E)-2-bromoethenyl]-3-methylcyclohexane
SMILESCC1CCCC(/C=C/Br)C1
InChIInChI=1S/C9H15Br/c1-8-3-2-4-9(7-8)5-6-10/h5-6,8-9H,2-4,7H2,1H3/b6-5+
InChIKeyOHIXEJFDSUOMEB-AATRIKPKSA-N
MW203.12 g/mol
LogP3.72
Rot. Bonds1

About 1-[(E)-2-bromoethenyl]-3-methylcyclohexane

1-[(E)-2-bromoethenyl]-3-methylcyclohexane (PubChem CID 165470993) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-[(E)-2-bromoethenyl]-3-methylcyclohexane.

Molecular Properties

Compound Name1-[(E)-2-bromoethenyl]-3-methylcyclohexane
PubChem CID165470993
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name1-[(E)-2-bromoethenyl]-3-methylcyclohexane
SMILESCC1CCCC(/C=C/Br)C1
InChIInChI=1S/C9H15Br/c1-8-3-2-4-9(7-8)5-6-10/h5-6,8-9H,2-4,7H2,1H3/b6-5+
InChIKeyOHIXEJFDSUOMEB-AATRIKPKSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(E)-2-cyclobutylethenyl]-3-methylcyclohexane
CID 142973794
1-methyl-3-(2-methylprop-1-enyl)cyclohexane
CID 90939751
(1R)-1,3-dimethylcyclohexane
CID 12594306
(Z)-2-methyl-3-(3-methylcyclohexyl)prop-2-en-1-ol
CID 79335015
1-(3-chloro-2-cyclohexylprop-1-enyl)-3-methylcyclohexane
CID 115825407
CID 175388606
CID 175388606
isocyanic acid;3-methylcyclohexane-1-carbaldehyde
CID 174560821
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040
cis-(1R,3S)-1-bromo-3-methylcyclohexane
CID 12768448
2-cyclohexyl-3-(3-methylcyclohexyl)prop-2-en-1-amine
CID 115825418
1-(1-bromopropyl)-3-methylcyclohexane
CID 79308612
cyclooctane;methylcyclobutane
CID 159456217

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromoethenyl]-3-methylcyclohexane?
The IUPAC name of 1-[(E)-2-bromoethenyl]-3-methylcyclohexane (CID 165470993) is 1-[(E)-2-bromoethenyl]-3-methylcyclohexane.
What is the SMILES notation for 1-[(E)-2-bromoethenyl]-3-methylcyclohexane?
The canonical SMILES for 1-[(E)-2-bromoethenyl]-3-methylcyclohexane is CC1CCCC(/C=C/Br)C1.
What is the InChIKey of 1-[(E)-2-bromoethenyl]-3-methylcyclohexane?
The InChIKey is OHIXEJFDSUOMEB-AATRIKPKSA-N. The full InChI is InChI=1S/C9H15Br/c1-8-3-2-4-9(7-8)5-6-10/h5-6,8-9H,2-4,7H2,1H3/b6-5+.
What are the key properties of 1-[(E)-2-bromoethenyl]-3-methylcyclohexane?
1-[(E)-2-bromoethenyl]-3-methylcyclohexane has a molecular weight of 203.12 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromoethenyl]-3-methylcyclohexane is sourced from PubChem (CID 165470993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).