2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane

C11H16O2 — CID 22003323

IUPAC2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane
SMILESCC1=CCC=C1C(C)OCC1CO1
InChIInChI=1S/C11H16O2/c1-8-4-3-5-11(8)9(2)12-6-10-7-13-10/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyXBENEJJYIOJSIW-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane

2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane (PubChem CID 22003323) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane
PubChem CID22003323
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane
SMILESCC1=CCC=C1C(C)OCC1CO1
InChIInChI=1S/C11H16O2/c1-8-4-3-5-11(8)9(2)12-6-10-7-13-10/h4-5,9-10H,3,6-7H2,1-2H3
InChIKeyXBENEJJYIOJSIW-UHFFFAOYSA-N
XLogP2.07
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.07
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

(2S)-2-[[(1R)-1-(4-methylphenyl)ethoxy]methyl]oxirane
CID 97180239
2-(propan-2-yloxymethyl)oxirane
CID 159998967
(2S)-2-[[(1S)-1-(4-chlorophenyl)ethoxy]methyl]oxirane
CID 2507807
2-methyl-3-[(1R)-1-[[(2R)-oxiran-2-yl]methoxy]ethyl]phenol
CID 89046389
(2R)-2-[[(1S)-1-(3,4-dimethoxyphenyl)ethoxy]methyl]oxirane
CID 97180237
2-[1-(3,4-dimethoxyphenyl)ethoxymethyl]oxirane
CID 102548273
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)ethoxy]methyl]oxirane
CID 97180279
(2R)-2-[[(1R)-1-(2-bromo-3-fluoro-4-methylphenyl)ethoxy]methyl]oxirane
CID 58572447
2-[1-(2-methoxyphenyl)ethoxymethyl]oxirane
CID 22382426
(2R)-2-[1-(2-iodophenyl)ethoxymethyl]oxirane
CID 58662610
(2R)-2-[[(1S)-1-(2-methoxyphenyl)ethoxy]methyl]oxirane
CID 97180222
(2S)-2-[[(1S)-1-(2-chlorophenyl)ethoxy]methyl]oxirane
CID 97180205

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane?
The IUPAC name of 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane (CID 22003323) is 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane.
What is the SMILES notation for 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane?
The canonical SMILES for 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane is CC1=CCC=C1C(C)OCC1CO1.
What is the InChIKey of 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane?
The InChIKey is XBENEJJYIOJSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-4-3-5-11(8)9(2)12-6-10-7-13-10/h4-5,9-10H,3,6-7H2,1-2H3.
What are the key properties of 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane?
2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane has a molecular weight of 180.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylcyclopenta-1,4-dien-1-yl)ethoxymethyl]oxirane is sourced from PubChem (CID 22003323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).