3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene

C22H38O — CID 70618900

IUPAC3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
SMILESCC1CC(C(C)OC(C)C2=CC(C)(C)CC(C)C2)=CC(C)(C)C1
InChIInChI=1S/C22H38O/c1-15-9-19(13-21(5,6)11-15)17(3)23-18(4)20-10-16(2)12-22(7,8)14-20/h13-18H,9-12H2,1-8H3
InChIKeyGFIHVOYYRKKBSG-UHFFFAOYSA-N
MW318.55 g/mol
LogP6.55
Rot. Bonds4

About 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene

3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene (PubChem CID 70618900) has the molecular formula C22H38O and a molecular weight of 318.55 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene.

Molecular Properties

Compound Name3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
PubChem CID70618900
Molecular FormulaC22H38O
Molecular Weight318.55 g/mol
Exact Mass318.29
IUPAC Name3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene
SMILESCC1CC(C(C)OC(C)C2=CC(C)(C)CC(C)C2)=CC(C)(C)C1
InChIInChI=1S/C22H38O/c1-15-9-19(13-21(5,6)11-15)17(3)23-18(4)20-10-16(2)12-22(7,8)14-20/h13-18H,9-12H2,1-8H3
InChIKeyGFIHVOYYRKKBSG-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.55
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The IUPAC name of 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene (CID 70618900) is 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene.
What is the SMILES notation for 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The canonical SMILES for 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene is CC1CC(C(C)OC(C)C2=CC(C)(C)CC(C)C2)=CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
The InChIKey is GFIHVOYYRKKBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O/c1-15-9-19(13-21(5,6)11-15)17(3)23-18(4)20-10-16(2)12-22(7,8)14-20/h13-18H,9-12H2,1-8H3.
What are the key properties of 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene?
3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene has a molecular weight of 318.55 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-[1-[1-(3,3,5-trimethylcyclohexen-1-yl)ethoxy]ethyl]cyclohexene is sourced from PubChem (CID 70618900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).