1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene

C11H18 — CID 121217794

IUPAC1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18/c1-4-5-11-7-6-9(2)10(3)8-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyWZJIECIBPQXTRP-SNAWJCMRSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds1

About 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene

1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene (PubChem CID 121217794) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene
PubChem CID121217794
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18/c1-4-5-11-7-6-9(2)10(3)8-11/h4-5,11H,6-8H2,1-3H3/b5-4+
InChIKeyWZJIECIBPQXTRP-SNAWJCMRSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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

4-iodo-1,2-dimethylcyclohexene
CID 86142441
3,4-dimethylcyclohex-3-en-1-amine;ethane
CID 177140946
prop-1-enylcyclododecane
CID 139760926
1-[(E)-prop-1-enyl]-4-[(E)-2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethenyl]cyclohexane
CID 59431504
4-[(E)-prop-1-enyl]cyclohexan-1-ol
CID 14498680
4-prop-1-enyloxane
CID 67943366
4-[(E)-prop-1-enyl]cyclohexan-1-amine
CID 54523071
2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol
CID 130122720
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
CID 151968969
4-prop-1-enyloxolan-2-one
CID 85320668
1-(3,4-dimethylcyclohex-3-en-1-yl)-2-methylpropan-1-ol
CID 130128150
(4R)-4-[(E)-prop-1-enyl]oxolan-2-one
CID 10931438

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene (CID 121217794) is 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene is C/C=C/C1CCC(C)=C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is WZJIECIBPQXTRP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-11-7-6-9(2)10(3)8-11/h4-5,11H,6-8H2,1-3H3/b5-4+.
What are the key properties of 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene?
1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(E)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 121217794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).