1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane

C16H28O2 — CID 155615840

IUPAC1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane
SMILESCCC1CCC(COC2(OC)CCC=C2C)CC1
InChIInChI=1S/C16H28O2/c1-4-14-7-9-15(10-8-14)12-18-16(17-3)11-5-6-13(16)2/h6,14-15H,4-5,7-12H2,1-3H3
InChIKeyQVOWJNKKBORWGN-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.30
Rot. Bonds5

About 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane

1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane (PubChem CID 155615840) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane
PubChem CID155615840
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane
SMILESCCC1CCC(COC2(OC)CCC=C2C)CC1
InChIInChI=1S/C16H28O2/c1-4-14-7-9-15(10-8-14)12-18-16(17-3)11-5-6-13(16)2/h6,14-15H,4-5,7-12H2,1-3H3
InChIKeyQVOWJNKKBORWGN-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(4R)-4-methylcyclohexen-1-yl]-1,3-dioxolane
CID 139467954
2,5,5-trimethyl-2-[(3S)-3-methyl-3-(2-methylidenebut-3-enyl)cyclopenten-1-yl]-1,3-dioxane
CID 71492108
Cyclohexene, 4-isopropenyl-1-methoxymethoxymethyl-
CID 542456
6,6-Diethoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 10466207
1-(2-Methoxypropan-2-yloxymethyl)-5-methylcyclopentene
CID 66827689
3-[1-(2-Cyclohexylethoxy)ethoxy]-6-(5-methylhexan-3-yl)cyclohexene
CID 68384289
1-(Diethoxymethyl)-4-prop-1-en-2-ylcyclohexene
CID 70404962
2-Methyl-1-(3-methylbutyl)-3-[1-[(4-methylcyclohexyl)methoxy]ethoxy]cyclohexene
CID 123467571
3-[1-[(4-Methylcyclohexyl)methoxy]ethoxy]cyclohexene
CID 123620113
3-(1-Methoxyethoxy)-3-methylbicyclo[3.3.1]non-1-ene
CID 132011759
1-(1-Ethoxy-1-methoxyethyl)-3,3-dimethylcyclohexene
CID 132184822
2-Methyl-2-(4-methylcyclohexen-1-yl)-1,3-dioxolane
CID 139467955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane (CID 155615840) is 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane is CCC1CCC(COC2(OC)CCC=C2C)CC1.
What is the InChIKey of 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The InChIKey is QVOWJNKKBORWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-4-14-7-9-15(10-8-14)12-18-16(17-3)11-5-6-13(16)2/h6,14-15H,4-5,7-12H2,1-3H3.
What are the key properties of 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane?
1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane has a molecular weight of 252.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 155615840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).