3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene

C16H26 — CID 10751327

IUPAC3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
SMILESCC1=CC(C)(C2(C)C=C(C)CCC2)CCC1
InChIInChI=1S/C16H26/c1-13-7-5-9-15(3,11-13)16(4)10-6-8-14(2)12-16/h11-12H,5-10H2,1-4H3
InChIKeyULDDEHITYZDIPB-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.26
Rot. Bonds1

About 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene

3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene (PubChem CID 10751327) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene.

Molecular Properties

Compound Name3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
PubChem CID10751327
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
SMILESCC1=CC(C)(C2(C)C=C(C)CCC2)CCC1
InChIInChI=1S/C16H26/c1-13-7-5-9-15(3,11-13)16(4)10-6-8-14(2)12-16/h11-12H,5-10H2,1-4H3
InChIKeyULDDEHITYZDIPB-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.26
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 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene?
The IUPAC name of 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene (CID 10751327) is 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene.
What is the SMILES notation for 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene?
The canonical SMILES for 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene is CC1=CC(C)(C2(C)C=C(C)CCC2)CCC1.
What is the InChIKey of 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene?
The InChIKey is ULDDEHITYZDIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-13-7-5-9-15(3,11-13)16(4)10-6-8-14(2)12-16/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene?
3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene has a molecular weight of 218.38 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene is sourced from PubChem (CID 10751327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).