1-(4-bromobut-1-enyl)-2-ethylcyclohexane

C12H21Br — CID 115278636

IUPAC1-(4-bromobut-1-enyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1C=CCCBr
InChIInChI=1S/C12H21Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyHZNGHVHRLIGINK-UHFFFAOYSA-N
MW245.20 g/mol
LogP4.54
Rot. Bonds4

About 1-(4-bromobut-1-enyl)-2-ethylcyclohexane

1-(4-bromobut-1-enyl)-2-ethylcyclohexane (PubChem CID 115278636) has the molecular formula C12H21Br and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(4-bromobut-1-enyl)-2-ethylcyclohexane.

Molecular Properties

Compound Name1-(4-bromobut-1-enyl)-2-ethylcyclohexane
PubChem CID115278636
Molecular FormulaC12H21Br
Molecular Weight245.20 g/mol
Exact Mass244.08
IUPAC Name1-(4-bromobut-1-enyl)-2-ethylcyclohexane
SMILESCCC1CCCCC1C=CCCBr
InChIInChI=1S/C12H21Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h5,9,11-12H,2-4,6-8,10H2,1H3
InChIKeyHZNGHVHRLIGINK-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 54.54
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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Related Compounds

N-[(E)-4-(2-ethylcyclohexyl)but-3-enyl]cyclopropanamine
CID 79593006
N-tert-butyl-4-(2-ethylcyclohexyl)but-3-en-1-amine
CID 115278666
1-ethyl-2-[(Z)-prop-1-enyl]cyclohexane
CID 59840791
[(E)-4-bromobut-1-enyl]cycloheptane
CID 82934609
1-pent-1-enyl-2-[4-(4-pentylcyclohexyl)butyl]cyclohexane
CID 173282079
trans-(1S,2S)-1-hept-1-enyl-2-hexylcyclopentane
CID 57208153
1-[(E)-4-bromobut-1-enyl]-3-ethylcyclohexane
CID 79603362
trans-(1S,2S)-1-hexyl-2-oct-1-enylcyclopentane
CID 54258252
trans-(1S,2S)-1-dec-1-enyl-2-hexylcyclopentane
CID 54565443
1-[(E)-but-1-enyl]-2-[4-(4-ethylcyclohexyl)butyl]cyclohexane
CID 173282196
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
CID 160611346
CID 160611346

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobut-1-enyl)-2-ethylcyclohexane?
The IUPAC name of 1-(4-bromobut-1-enyl)-2-ethylcyclohexane (CID 115278636) is 1-(4-bromobut-1-enyl)-2-ethylcyclohexane.
What is the SMILES notation for 1-(4-bromobut-1-enyl)-2-ethylcyclohexane?
The canonical SMILES for 1-(4-bromobut-1-enyl)-2-ethylcyclohexane is CCC1CCCCC1C=CCCBr.
What is the InChIKey of 1-(4-bromobut-1-enyl)-2-ethylcyclohexane?
The InChIKey is HZNGHVHRLIGINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br/c1-2-11-7-3-4-8-12(11)9-5-6-10-13/h5,9,11-12H,2-4,6-8,10H2,1H3.
What are the key properties of 1-(4-bromobut-1-enyl)-2-ethylcyclohexane?
1-(4-bromobut-1-enyl)-2-ethylcyclohexane has a molecular weight of 245.20 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobut-1-enyl)-2-ethylcyclohexane is sourced from PubChem (CID 115278636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).