3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane

C15H26O2 — CID 142638254

IUPAC3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCOC1CCCC(CC2CCC3OC3C2)C1
InChIInChI=1S/C15H26O2/c1-2-16-13-5-3-4-11(9-13)8-12-6-7-14-15(10-12)17-14/h11-15H,2-10H2,1H3
InChIKeyLIEPNHFBAJVBHY-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.54
Rot. Bonds4

About 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane

3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 142638254) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID142638254
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
SMILESCCOC1CCCC(CC2CCC3OC3C2)C1
InChIInChI=1S/C15H26O2/c1-2-16-13-5-3-4-11(9-13)8-12-6-7-14-15(10-12)17-14/h11-15H,2-10H2,1H3
InChIKeyLIEPNHFBAJVBHY-UHFFFAOYSA-N
XLogP3.54
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
cis-(1S,3S)-1-ethoxy-3-(2-methylpropyl)cyclohexane
CID 10261806
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
cis-(1S,3R)-1-ethoxy-3-pentylcyclohexane
CID 101096763
[(1S,3R,6R)-7-oxabicyclo[4.1.0]heptan-3-yl] 2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]acetate
CID 125121560
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
CID 21344282
CID 45052171
CID 45052171
CID 22630444
CID 22630444
triethoxy-[2-[(1R,3R,6S)-7-oxabicyclo[4.1.0]heptan-3-yl]ethyl]silane
CID 99738442
1-(3-ethoxycyclohexyl)azetidine
CID 163258789
hexane-1,6-diol;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 87897648

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane (CID 142638254) is 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane is CCOC1CCCC(CC2CCC3OC3C2)C1.
What is the InChIKey of 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is LIEPNHFBAJVBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-16-13-5-3-4-11(9-13)8-12-6-7-14-15(10-12)17-14/h11-15H,2-10H2,1H3.
What are the key properties of 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane?
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 238.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 142638254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).