2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane

C14H24O2 — CID 559212

IUPAC2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane
SMILESCC1=CCC(C(C)OC2CCCCO2)CC1
InChIInChI=1S/C14H24O2/c1-11-6-8-13(9-7-11)12(2)16-14-5-3-4-10-15-14/h6,12-14H,3-5,7-10H2,1-2H3
InChIKeyYQRFTSWZYCFVJU-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.66
Rot. Bonds3

About 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane

2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane (PubChem CID 559212) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane.

Molecular Properties

Compound Name2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane
PubChem CID559212
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane
SMILESCC1=CCC(C(C)OC2CCCCO2)CC1
InChIInChI=1S/C14H24O2/c1-11-6-8-13(9-7-11)12(2)16-14-5-3-4-10-15-14/h6,12-14H,3-5,7-10H2,1-2H3
InChIKeyYQRFTSWZYCFVJU-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Diethoxy-3,7-dimethyloct-6-ene
CID 3018210
2-Octene, 8-(1-methoxyethoxy)-2,6-dimethyl-
CID 107057
2-Octene, 8-(1-ethoxyethoxy)-2,6-dimethyl-
CID 111452
2-(2,6-Dimethyl-5-heptenyl)-4-methyl-1,3-dioxane
CID 228644
2-(Cyclohex-3-en-1-yl)-4,4,6-trimethyl-1,3-dioxane
CID 242720
1-Methoxy-7,9-dimethyl-2-oxaspiro[5.5]undec-8-ene
CID 66600706
5-Sec-butyl-2-(4,6-dimethylcyclohex-3-en-1-yl)-5-methyl-1,3-dioxane
CID 139415167
3-Isopropyl-9-methyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 764102
5-Methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115171
4-Methyl-2-(2,4,6-trimethyl-3-cyclohexenyl)-1,3-dioxane
CID 3115172
4,4,6-Trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 3115173
5,5-Dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
CID 4183772

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane?
The IUPAC name of 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane (CID 559212) is 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane.
What is the SMILES notation for 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane?
The canonical SMILES for 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane is CC1=CCC(C(C)OC2CCCCO2)CC1.
What is the InChIKey of 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane?
The InChIKey is YQRFTSWZYCFVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-6-8-13(9-7-11)12(2)16-14-5-3-4-10-15-14/h6,12-14H,3-5,7-10H2,1-2H3.
What are the key properties of 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane?
2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane has a molecular weight of 224.34 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylcyclohex-3-en-1-yl)ethoxy]oxane is sourced from PubChem (CID 559212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).