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

C15H26O2 — CID 155615817

IUPAC1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
SMILESCCC1CCC(COC2(OC)C=CCC2)CC1
InChIInChI=1S/C15H26O2/c1-3-13-6-8-14(9-7-13)12-17-15(16-2)10-4-5-11-15/h4,10,13-14H,3,5-9,11-12H2,1-2H3
InChIKeyTYRMIZIXDSIGHL-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.91
Rot. Bonds5

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

1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane (PubChem CID 155615817) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane.

Molecular Properties

Compound Name1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
PubChem CID155615817
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane
SMILESCCC1CCC(COC2(OC)C=CCC2)CC1
InChIInChI=1S/C15H26O2/c1-3-13-6-8-14(9-7-13)12-17-15(16-2)10-4-5-11-15/h4,10,13-14H,3,5-9,11-12H2,1-2H3
InChIKeyTYRMIZIXDSIGHL-UHFFFAOYSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.91
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
(2S,2'S,3aR,5'R,6aS)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 10585915
8a-Methoxy-4a,5,6,7,8,8a-hexahydrochromene
CID 129871280
(2R,2'S,3aS,5'R,6aR)-5'-methyl-2'-propan-2-ylspiro[6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]
CID 135037887
4-Cyclohexyl-4,7-dihydro-1,3-dioxepine
CID 135085685
8-Propan-2-yl-1,4-dioxaspiro[4.5]dec-6-ene
CID 14136803
2-butoxy-3-hexyl-3,6-dihydro-2H-pyran
CID 19915123
1-(3-Methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22618969
6-Methyl-1-(3-methyl-5-propan-2-ylcyclohexyl)oxy-7-oxabicyclo[2.2.1]hept-2-ene
CID 22619035
3-[1-(2-Cyclohexylethoxy)ethoxy]-6-(5-methylhexan-3-yl)cyclohexene
CID 68384289
3-Cyclohexyl-6-[2-(1-methoxyethoxy)ethoxy]cyclohexene
CID 88978851
3-Ethoxy-6-(4-methylcyclohexyl)cyclohexene
CID 89851074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The IUPAC name of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane (CID 155615817) is 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane.
What is the SMILES notation for 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The canonical SMILES for 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane is CCC1CCC(COC2(OC)C=CCC2)CC1.
What is the InChIKey of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?
The InChIKey is TYRMIZIXDSIGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-3-13-6-8-14(9-7-13)12-17-15(16-2)10-4-5-11-15/h4,10,13-14H,3,5-9,11-12H2,1-2H3.
What are the key properties of 1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane?
1-ethyl-4-[(1-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane has a molecular weight of 238.37 g/mol, XLogP of 3.91, 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-methoxycyclopent-2-en-1-yl)oxymethyl]cyclohexane is sourced from PubChem (CID 155615817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).