1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene

C16H26O — CID 160614322

IUPAC1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene
SMILESCC1(C)CC=C(OC2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H26O/c1-15(2)9-5-13(6-10-15)17-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3
InChIKeyODJYDXLAGKJOAR-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.19
Rot. Bonds2

About 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene

1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene (PubChem CID 160614322) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene
PubChem CID160614322
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene
SMILESCC1(C)CC=C(OC2=CCC(C)(C)CC2)CC1
InChIInChI=1S/C16H26O/c1-15(2)9-5-13(6-10-15)17-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3
InChIKeyODJYDXLAGKJOAR-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene?
The IUPAC name of 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene (CID 160614322) is 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene.
What is the SMILES notation for 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene?
The canonical SMILES for 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene is CC1(C)CC=C(OC2=CCC(C)(C)CC2)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene?
The InChIKey is ODJYDXLAGKJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-15(2)9-5-13(6-10-15)17-14-7-11-16(3,4)12-8-14/h5,7H,6,8-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene?
1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene has a molecular weight of 234.38 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexen-1-yl)oxy-4,4-dimethylcyclohexene is sourced from PubChem (CID 160614322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).