1,2-dimethyl-4-prop-1-en-2-ylcyclohexene

C11H18 — CID 524202

IUPAC1,2-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h11H,1,5-7H2,2-4H3
InChIKeyDJNBXADZJNAMQR-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds1

About 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene

1,2-dimethyl-4-prop-1-en-2-ylcyclohexene (PubChem CID 524202) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene.

Molecular Properties

Compound Name1,2-dimethyl-4-prop-1-en-2-ylcyclohexene
PubChem CID524202
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name1,2-dimethyl-4-prop-1-en-2-ylcyclohexene
SMILESC=C(C)C1CCC(C)=C(C)C1
InChIInChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h11H,1,5-7H2,2-4H3
InChIKeyDJNBXADZJNAMQR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene?
The IUPAC name of 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene (CID 524202) is 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene.
What is the SMILES notation for 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene?
The canonical SMILES for 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene is C=C(C)C1CCC(C)=C(C)C1.
What is the InChIKey of 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene?
The InChIKey is DJNBXADZJNAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)11-6-5-9(3)10(4)7-11/h11H,1,5-7H2,2-4H3.
What are the key properties of 1,2-dimethyl-4-prop-1-en-2-ylcyclohexene?
1,2-dimethyl-4-prop-1-en-2-ylcyclohexene 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-prop-1-en-2-ylcyclohexene is sourced from PubChem (CID 524202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).