3-[(Z)-2-bromodec-1-enyl]cyclohexene

C16H27Br — CID 71493572

IUPAC3-[(Z)-2-bromodec-1-enyl]cyclohexene
SMILESCCCCCCCC/C(Br)=C/C1C=CCCC1
InChIInChI=1S/C16H27Br/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b16-14-
InChIKeyFEBWOJCHKILZKI-PEZBUJJGSA-N
MW299.30 g/mol
LogP6.37
Rot. Bonds8

About 3-[(Z)-2-bromodec-1-enyl]cyclohexene

3-[(Z)-2-bromodec-1-enyl]cyclohexene (PubChem CID 71493572) has the molecular formula C16H27Br and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-[(Z)-2-bromodec-1-enyl]cyclohexene.

Molecular Properties

Compound Name3-[(Z)-2-bromodec-1-enyl]cyclohexene
PubChem CID71493572
Molecular FormulaC16H27Br
Molecular Weight299.30 g/mol
Exact Mass298.13
IUPAC Name3-[(Z)-2-bromodec-1-enyl]cyclohexene
SMILESCCCCCCCC/C(Br)=C/C1C=CCCC1
InChIInChI=1S/C16H27Br/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b16-14-
InChIKeyFEBWOJCHKILZKI-PEZBUJJGSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.30
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-bromo-3-cyclohexylprop-1-enyl]cyclohexene
CID 71493570
3-[(E)-oct-1-enyl]cyclohexene
CID 12576320
9-[(Z)-2-bromooct-1-enyl]-9-borabicyclo[3.3.1]nonane
CID 134903941
3-[(E)-hex-1-enyl]cyclohexene
CID 5358331
3-[(Z)-hex-1-enyl]cyclohexene
CID 177486047
(3R)-3-hexylcyclohexene
CID 144775192
(13E,15E)-13,16-dibromooctacosa-13,15-diene
CID 101467578
(Z)-3-bromooct-2-ene
CID 13181431
1-[(E)-1-bromo-2-cyclohex-2-en-1-ylethenyl]-3-chlorobenzene
CID 71493218
(E)-1,2-dibromohept-1-ene
CID 134985754
3-prop-1-enylcyclohexene
CID 152698334
cyclohexene;bis(nonanoic acid)
CID 159857878

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-bromodec-1-enyl]cyclohexene?
The IUPAC name of 3-[(Z)-2-bromodec-1-enyl]cyclohexene (CID 71493572) is 3-[(Z)-2-bromodec-1-enyl]cyclohexene.
What is the SMILES notation for 3-[(Z)-2-bromodec-1-enyl]cyclohexene?
The canonical SMILES for 3-[(Z)-2-bromodec-1-enyl]cyclohexene is CCCCCCCC/C(Br)=C/C1C=CCCC1.
What is the InChIKey of 3-[(Z)-2-bromodec-1-enyl]cyclohexene?
The InChIKey is FEBWOJCHKILZKI-PEZBUJJGSA-N. The full InChI is InChI=1S/C16H27Br/c1-2-3-4-5-6-10-13-16(17)14-15-11-8-7-9-12-15/h8,11,14-15H,2-7,9-10,12-13H2,1H3/b16-14-.
What are the key properties of 3-[(Z)-2-bromodec-1-enyl]cyclohexene?
3-[(Z)-2-bromodec-1-enyl]cyclohexene has a molecular weight of 299.30 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-bromodec-1-enyl]cyclohexene is sourced from PubChem (CID 71493572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).