2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane

C15H28O2 — CID 159848161

IUPAC2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
SMILESCCCC1CCC2CC2C1.CCOCC1CO1
InChIInChI=1S/C10H18.C5H10O2/c1-2-3-8-4-5-9-7-10(9)6-8;1-2-6-3-5-4-7-5/h8-10H,2-7H2,1H3;5H,2-4H2,1H3
InChIKeyNPORRRHVZMGYIE-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.64
Rot. Bonds5

About 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane

2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane (PubChem CID 159848161) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
PubChem CID159848161
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane
SMILESCCCC1CCC2CC2C1.CCOCC1CO1
InChIInChI=1S/C10H18.C5H10O2/c1-2-3-8-4-5-9-7-10(9)6-8;1-2-6-3-5-4-7-5/h8-10H,2-7H2,1H3;5H,2-4H2,1H3
InChIKeyNPORRRHVZMGYIE-UHFFFAOYSA-N
XLogP3.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.64
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

2-propyl-6-[4-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139866438
2-[[4-(4-propylcyclohexyl)cyclohexyl]oxymethyl]oxirane
CID 58895347
3-propylbicyclo[4.2.0]octane
CID 145186098
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
2-(propoxymethyl)oxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 158695451
(2R,4aR,6S)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 18603493
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
3-propylbicyclo[5.1.0]octane
CID 123651402
2-(butoxymethyl)oxirane;2-nonyloxirane;2-pentyloxirane;3-propyl-7-oxabicyclo[4.1.0]heptane
CID 160512073
4-butan-2-yl-1-methyl-7-oxabicyclo[4.1.0]heptane;2-(butoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane;6-propyltricyclo[3.2.1.02,4]octane
CID 160712275
6-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde
CID 139847553
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane?
The IUPAC name of 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane (CID 159848161) is 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane.
What is the SMILES notation for 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane?
The canonical SMILES for 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane is CCCC1CCC2CC2C1.CCOCC1CO1.
What is the InChIKey of 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane?
The InChIKey is NPORRRHVZMGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18.C5H10O2/c1-2-3-8-4-5-9-7-10(9)6-8;1-2-6-3-5-4-7-5/h8-10H,2-7H2,1H3;5H,2-4H2,1H3.
What are the key properties of 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane?
2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane has a molecular weight of 240.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)oxirane;3-propylbicyclo[4.1.0]heptane is sourced from PubChem (CID 159848161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).