[(E)-1-bromoprop-1-en-2-yl]cyclohexane

C9H15Br — CID 87467219

IUPAC[(E)-1-bromoprop-1-en-2-yl]cyclohexane
SMILESC/C(=C\Br)C1CCCCC1
InChIInChI=1S/C9H15Br/c1-8(7-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyMCULJCSPETVXLN-BQYQJAHWSA-N
MW203.12 g/mol
LogP3.87
Rot. Bonds1

About [(E)-1-bromoprop-1-en-2-yl]cyclohexane

[(E)-1-bromoprop-1-en-2-yl]cyclohexane (PubChem CID 87467219) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is [(E)-1-bromoprop-1-en-2-yl]cyclohexane.

Molecular Properties

Compound Name[(E)-1-bromoprop-1-en-2-yl]cyclohexane
PubChem CID87467219
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name[(E)-1-bromoprop-1-en-2-yl]cyclohexane
SMILESC/C(=C\Br)C1CCCCC1
InChIInChI=1S/C9H15Br/c1-8(7-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+
InChIKeyMCULJCSPETVXLN-BQYQJAHWSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(Z)-3-cyclohexylbut-2-enamide
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4-cyclohexylpent-3-en-1-amine
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1-cyclohexylethanethione
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4-cyclohexylpent-3-enenitrile
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(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
[(2E,4Z)-5-cyclohexylhexa-2,4-dien-2-yl]benzene
CID 177407839
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
4-methylpenta-1,3-dien-2-ylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of [(E)-1-bromoprop-1-en-2-yl]cyclohexane?
The IUPAC name of [(E)-1-bromoprop-1-en-2-yl]cyclohexane (CID 87467219) is [(E)-1-bromoprop-1-en-2-yl]cyclohexane.
What is the SMILES notation for [(E)-1-bromoprop-1-en-2-yl]cyclohexane?
The canonical SMILES for [(E)-1-bromoprop-1-en-2-yl]cyclohexane is C/C(=C\Br)C1CCCCC1.
What is the InChIKey of [(E)-1-bromoprop-1-en-2-yl]cyclohexane?
The InChIKey is MCULJCSPETVXLN-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15Br/c1-8(7-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/b8-7+.
What are the key properties of [(E)-1-bromoprop-1-en-2-yl]cyclohexane?
[(E)-1-bromoprop-1-en-2-yl]cyclohexane has a molecular weight of 203.12 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-bromoprop-1-en-2-yl]cyclohexane is sourced from PubChem (CID 87467219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).