1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene

C20H34O — CID 157395654

IUPAC1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene
SMILESCCC1(CC)CC=C(OC2=CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C20H34O/c1-5-19(6-2)13-9-17(10-14-19)21-18-11-15-20(7-3,8-4)16-12-18/h9,11H,5-8,10,12-16H2,1-4H3
InChIKeyMRPWYUQLQCTIOI-UHFFFAOYSA-N
MW290.49 g/mol
LogP6.75
Rot. Bonds6

About 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene

1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene (PubChem CID 157395654) has the molecular formula C20H34O and a molecular weight of 290.49 g/mol. Its IUPAC name is 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene.

Molecular Properties

Compound Name1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene
PubChem CID157395654
Molecular FormulaC20H34O
Molecular Weight290.49 g/mol
Exact Mass290.26
IUPAC Name1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene
SMILESCCC1(CC)CC=C(OC2=CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C20H34O/c1-5-19(6-2)13-9-17(10-14-19)21-18-11-15-20(7-3,8-4)16-12-18/h9,11H,5-8,10,12-16H2,1-4H3
InChIKeyMRPWYUQLQCTIOI-UHFFFAOYSA-N
XLogP6.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.49
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene?
The IUPAC name of 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene (CID 157395654) is 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene.
What is the SMILES notation for 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene?
The canonical SMILES for 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene is CCC1(CC)CC=C(OC2=CCC(CC)(CC)CC2)CC1.
What is the InChIKey of 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene?
The InChIKey is MRPWYUQLQCTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O/c1-5-19(6-2)13-9-17(10-14-19)21-18-11-15-20(7-3,8-4)16-12-18/h9,11H,5-8,10,12-16H2,1-4H3.
What are the key properties of 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene?
1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene has a molecular weight of 290.49 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diethylcyclohexen-1-yl)oxy-4,4-diethylcyclohexene is sourced from PubChem (CID 157395654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).