3-ethoxy-1,5,5-trimethylcyclohexene

C11H20O — CID 15373660

IUPAC3-ethoxy-1,5,5-trimethylcyclohexene
SMILESCCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h6,10H,5,7-8H2,1-4H3
InChIKeyGSSKPLRRTKXRLK-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

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

3-ethoxy-1,5,5-trimethylcyclohexene (PubChem CID 15373660) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethoxy-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name3-ethoxy-1,5,5-trimethylcyclohexene
PubChem CID15373660
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethoxy-1,5,5-trimethylcyclohexene
SMILESCCOC1C=C(C)CC(C)(C)C1
InChIInChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h6,10H,5,7-8H2,1-4H3
InChIKeyGSSKPLRRTKXRLK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl-tris[(3,5,5-trimethylcyclohex-2-en-1-yl)oxy]silane
CID 69441986
3-(1-bromo-2-methoxypropan-2-yl)oxy-1,5,5-trimethylcyclohexene
CID 71350327
(3,5,5-trimethylcyclohex-2-en-1-yl) 2,2,2-trichloroethanimidate
CID 134892606
2-(3,5,5-trimethylcyclohex-2-en-1-yl)acetic acid
CID 163867526
methyl 2-methyl-2-(3,5,5-trimethylcyclohex-2-en-1-yl)propanoate
CID 10489349
[(1R)-3,5,5-trimethylcyclohex-2-en-1-yl] (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoate
CID 99809914
2-hydroxybenzoic acid;methane;3,5,5-trimethylcyclohex-2-en-1-ol;(3,5,5-trimethylcyclohex-2-en-1-yl) 2-hydroxybenzoate
CID 158557533
[(1R)-3,5,5-trimethylcyclohex-2-en-1-yl] 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetate
CID 99785071
methylsulfanyl-(3,5,5-trimethylcyclohex-2-en-1-yl)sulfanylmethanone
CID 121223244
(3,5,5-trimethylcyclohex-2-en-1-yl) 3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoate
CID 91642071
(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
2-ethoxy-6-oxaspiro[3.4]octane-5,7-dione
CID 106823083

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,5,5-trimethylcyclohexene?
The IUPAC name of 3-ethoxy-1,5,5-trimethylcyclohexene (CID 15373660) is 3-ethoxy-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 3-ethoxy-1,5,5-trimethylcyclohexene?
The canonical SMILES for 3-ethoxy-1,5,5-trimethylcyclohexene is CCOC1C=C(C)CC(C)(C)C1.
What is the InChIKey of 3-ethoxy-1,5,5-trimethylcyclohexene?
The InChIKey is GSSKPLRRTKXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-12-10-6-9(2)7-11(3,4)8-10/h6,10H,5,7-8H2,1-4H3.
What are the key properties of 3-ethoxy-1,5,5-trimethylcyclohexene?
3-ethoxy-1,5,5-trimethylcyclohexene has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 15373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).