1-ethoxy-3,3,5-trimethylcyclohexene

C11H20O — CID 11030239

IUPAC1-ethoxy-3,3,5-trimethylcyclohexene
SMILESCCOC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h8-9H,5-7H2,1-4H3
InChIKeyKXNBJHYZRWGQSB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds2

About 1-ethoxy-3,3,5-trimethylcyclohexene

1-ethoxy-3,3,5-trimethylcyclohexene (PubChem CID 11030239) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethoxy-3,3,5-trimethylcyclohexene.

Molecular Properties

Compound Name1-ethoxy-3,3,5-trimethylcyclohexene
PubChem CID11030239
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-ethoxy-3,3,5-trimethylcyclohexene
SMILESCCOC1=CC(C)(C)CC(C)C1
InChIInChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h8-9H,5-7H2,1-4H3
InChIKeyKXNBJHYZRWGQSB-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-4-(1-ethoxyethenyl)-3,3,5,5-tetramethylcyclohexene
CID 118291
1-Methoxy-5-(2-methylpropyl)cyclohexa-1,4-diene
CID 177853456
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
4-Fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 130216765
4-Ethyl-1-[(5-fluorocyclohex-3-en-1-yl)methoxy]cyclohexene
CID 141859990
1-Tert-butyl-2-fluoro-4-methoxy-6-methylcyclohexa-1,3-diene
CID 166796244
1-Methoxy-4,4-dimethyl-cyclohex-1-ene
CID 558759
1-tert-Butoxy-6-Methylcyclohexene
CID 574418
1-Methoxy-3,5-dimethyl-cyclohexene
CID 580524
5,5-Dimethyl-3-ethoxy-2-cyclohexene-1-thione
CID 12468869
lithium (4S)-4-tert-butylcyclohexen-1-olate
CID 23691561

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3,5-trimethylcyclohexene?
The IUPAC name of 1-ethoxy-3,3,5-trimethylcyclohexene (CID 11030239) is 1-ethoxy-3,3,5-trimethylcyclohexene.
What is the SMILES notation for 1-ethoxy-3,3,5-trimethylcyclohexene?
The canonical SMILES for 1-ethoxy-3,3,5-trimethylcyclohexene is CCOC1=CC(C)(C)CC(C)C1.
What is the InChIKey of 1-ethoxy-3,3,5-trimethylcyclohexene?
The InChIKey is KXNBJHYZRWGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-ethoxy-3,3,5-trimethylcyclohexene?
1-ethoxy-3,3,5-trimethylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3,5-trimethylcyclohexene is sourced from PubChem (CID 11030239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).