2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane

C11H18O2 — CID 176605073

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane
SMILESCC1(CCOC=C2CCCC2)CO1
InChIInChI=1S/C11H18O2/c1-11(9-13-11)6-7-12-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyVYGJBNDLMBQBKU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.64
Rot. Bonds4

About 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane

2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane (PubChem CID 176605073) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane
PubChem CID176605073
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane
SMILESCC1(CCOC=C2CCCC2)CO1
InChIInChI=1S/C11H18O2/c1-11(9-13-11)6-7-12-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyVYGJBNDLMBQBKU-UHFFFAOYSA-N
XLogP2.64
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxirane
CID 149853181
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxirane
CID 176603520
2-(Cyclopentylidenemethoxymethyl)-2-methyloxirane
CID 176603955
2-[2-(Cyclopentylidenemethoxy)ethyl]oxirane
CID 176604198
2-[1-(Cyclopentylidenemethoxy)ethyl]oxirane
CID 176604255
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methyloxirane
CID 176604518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane (CID 176605073) is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane is CC1(CCOC=C2CCCC2)CO1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane?
The InChIKey is VYGJBNDLMBQBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(9-13-11)6-7-12-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane?
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane has a molecular weight of 182.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methyloxirane is sourced from PubChem (CID 176605073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).