2,4-dimethyl-1-propan-2-ylcyclohexene

C11H20 — CID 86080885

IUPAC2,4-dimethyl-1-propan-2-ylcyclohexene
SMILESCC1=C(C(C)C)CCC(C)C1
InChIInChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9H,5-7H2,1-4H3
InChIKeyYWBYUCXKYMIARY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 2,4-dimethyl-1-propan-2-ylcyclohexene

2,4-dimethyl-1-propan-2-ylcyclohexene (PubChem CID 86080885) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylcyclohexene.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylcyclohexene
PubChem CID86080885
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2,4-dimethyl-1-propan-2-ylcyclohexene
SMILESCC1=C(C(C)C)CCC(C)C1
InChIInChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9H,5-7H2,1-4H3
InChIKeyYWBYUCXKYMIARY-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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 2,4-dimethyl-1-propan-2-ylcyclohexene?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylcyclohexene (CID 86080885) is 2,4-dimethyl-1-propan-2-ylcyclohexene.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylcyclohexene?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylcyclohexene is CC1=C(C(C)C)CCC(C)C1.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylcyclohexene?
The InChIKey is YWBYUCXKYMIARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)11-6-5-9(3)7-10(11)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylcyclohexene?
2,4-dimethyl-1-propan-2-ylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylcyclohexene is sourced from PubChem (CID 86080885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).