2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane

C15H20O2 — CID 20591378

IUPAC2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane
SMILESCC1(C)CC1COCC1OC1c1ccccc1
InChIInChI=1S/C15H20O2/c1-15(2)8-12(15)9-16-10-13-14(17-13)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3
InChIKeyFABFBSMIQJGHRP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.19
Rot. Bonds5

About 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane

2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane (PubChem CID 20591378) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane
PubChem CID20591378
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane
SMILESCC1(C)CC1COCC1OC1c1ccccc1
InChIInChI=1S/C15H20O2/c1-15(2)8-12(15)9-16-10-13-14(17-13)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3
InChIKeyFABFBSMIQJGHRP-UHFFFAOYSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.19
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,3S)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-phenyloxirane
CID 10800794
2-[(2-methylpropan-2-yl)oxymethyl]-3-phenyloxirane
CID 141414590
2-phenyl-3-(trityloxymethyl)oxirane
CID 23443485
2-(but-3-ynoxymethyl)-3-phenyloxirane
CID 139260226
(2S,3S)-2-[(3,5-dimethylphenoxy)methyl]-3-phenyloxirane
CID 132544349
2-(4-butan-2-ylphenyl)-3-[[3-(4-butan-2-ylphenyl)oxiran-2-yl]methoxymethyl]oxirane
CID 141499717
(2R,3S)-2-(4-bromophenyl)-3-(phenylmethoxymethyl)oxirane
CID 135762701
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
(2R,3S)-2-(chloromethyl)-3-phenyloxirane
CID 55301046
(2S,3R)-2-(chloromethyl)-3-phenyloxirane
CID 11052058
2-[(3-phenyloxiran-2-yl)methyl]oxetane
CID 175051190
(2S,3S,4R,5R,6R)-2-phenyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11422041

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane (CID 20591378) is 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane is CC1(C)CC1COCC1OC1c1ccccc1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane?
The InChIKey is FABFBSMIQJGHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2)8-12(15)9-16-10-13-14(17-13)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane?
2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane has a molecular weight of 232.32 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)methoxymethyl]-3-phenyloxirane is sourced from PubChem (CID 20591378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).