4,5-bis(prop-1-en-2-yl)cyclohexene

C12H18 — CID 168967391

IUPAC4,5-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1CC=CCC1C(=C)C
InChIInChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,11-12H,1,3,7-8H2,2,4H3
InChIKeyZQEMWUBRIKQBHO-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.72
Rot. Bonds2

About 4,5-bis(prop-1-en-2-yl)cyclohexene

4,5-bis(prop-1-en-2-yl)cyclohexene (PubChem CID 168967391) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 4,5-bis(prop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name4,5-bis(prop-1-en-2-yl)cyclohexene
PubChem CID168967391
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name4,5-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1CC=CCC1C(=C)C
InChIInChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,11-12H,1,3,7-8H2,2,4H3
InChIKeyZQEMWUBRIKQBHO-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
3,8-dimethyl-4-prop-1-en-2-yl-1,2,3,3a,4,5,8,8a-octahydroazulene
CID 556206
cis-(1R,2R)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 12033954
6-propanoylcyclohex-3-ene-1-carboxylic acid
CID 89112270
2-prop-1-en-2-ylcyclododecan-1-ol
CID 141054945
6-[1-(2-methylprop-2-enoxy)propoxycarbonyl]cyclohex-3-ene-1-carboxylic acid
CID 101298122
calcium;cyclohex-4-ene-1,2-dicarboxylic acid;hydride
CID 175524215
cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,2R)-4,4-dimethyl-2-prop-1-en-2-ylcyclopentan-1-ol
CID 130927341
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
(1S,6S)-6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 36690462

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-en-2-yl)cyclohexene?
The IUPAC name of 4,5-bis(prop-1-en-2-yl)cyclohexene (CID 168967391) is 4,5-bis(prop-1-en-2-yl)cyclohexene.
What is the SMILES notation for 4,5-bis(prop-1-en-2-yl)cyclohexene?
The canonical SMILES for 4,5-bis(prop-1-en-2-yl)cyclohexene is C=C(C)C1CC=CCC1C(=C)C.
What is the InChIKey of 4,5-bis(prop-1-en-2-yl)cyclohexene?
The InChIKey is ZQEMWUBRIKQBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9(2)11-7-5-6-8-12(11)10(3)4/h5-6,11-12H,1,3,7-8H2,2,4H3.
What are the key properties of 4,5-bis(prop-1-en-2-yl)cyclohexene?
4,5-bis(prop-1-en-2-yl)cyclohexene has a molecular weight of 162.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 168967391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).