1,2,4-tri(propan-2-yl)cyclohexene

C15H28 — CID 177269639

IUPAC1,2,4-tri(propan-2-yl)cyclohexene
SMILESCC(C)C1=C(C(C)C)CC(C(C)C)CC1
InChIInChI=1S/C15H28/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10-13H,7-9H2,1-6H3
InChIKeyRMNHFPCFDPWFAV-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.05
Rot. Bonds3

About 1,2,4-tri(propan-2-yl)cyclohexene

1,2,4-tri(propan-2-yl)cyclohexene (PubChem CID 177269639) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,2,4-tri(propan-2-yl)cyclohexene.

Molecular Properties

Compound Name1,2,4-tri(propan-2-yl)cyclohexene
PubChem CID177269639
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,2,4-tri(propan-2-yl)cyclohexene
SMILESCC(C)C1=C(C(C)C)CC(C(C)C)CC1
InChIInChI=1S/C15H28/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10-13H,7-9H2,1-6H3
InChIKeyRMNHFPCFDPWFAV-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.05
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 1,2,4-tri(propan-2-yl)cyclohexene?
The IUPAC name of 1,2,4-tri(propan-2-yl)cyclohexene (CID 177269639) is 1,2,4-tri(propan-2-yl)cyclohexene.
What is the SMILES notation for 1,2,4-tri(propan-2-yl)cyclohexene?
The canonical SMILES for 1,2,4-tri(propan-2-yl)cyclohexene is CC(C)C1=C(C(C)C)CC(C(C)C)CC1.
What is the InChIKey of 1,2,4-tri(propan-2-yl)cyclohexene?
The InChIKey is RMNHFPCFDPWFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-10(2)13-7-8-14(11(3)4)15(9-13)12(5)6/h10-13H,7-9H2,1-6H3.
What are the key properties of 1,2,4-tri(propan-2-yl)cyclohexene?
1,2,4-tri(propan-2-yl)cyclohexene has a molecular weight of 208.39 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tri(propan-2-yl)cyclohexene is sourced from PubChem (CID 177269639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).