(2-methyloxirane);oxirane

C290H580O100 — CID 173423277

IUPAC(2-methyloxirane);oxirane
SMILESC1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1
InChIInChI=1S/90C3H6O.10C2H4O/c90*1-3-2-4-3;10*1-2-3-1/h90*3H,2H2,1H3;10*1-2H2
InChIKeyYZRORMMVYIJWEX-UHFFFAOYSA-N
MW5667.73 g/mol
LogP36.62
Rot. Bonds

About (2-methyloxirane);oxirane

(2-methyloxirane);oxirane (PubChem CID 173423277) has the molecular formula C290H580O100 and a molecular weight of 5667.73 g/mol. Its IUPAC name is (2-methyloxirane);oxirane.

Molecular Properties

Compound Name(2-methyloxirane);oxirane
PubChem CID173423277
Molecular FormulaC290H580O100
Molecular Weight5667.73 g/mol
Exact Mass5664.03
IUPAC Name(2-methyloxirane);oxirane
SMILESC1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1
InChIInChI=1S/90C3H6O.10C2H4O/c90*1-3-2-4-3;10*1-2-3-1/h90*3H,2H2,1H3;10*1-2H2
InChIKeyYZRORMMVYIJWEX-UHFFFAOYSA-N
XLogP36.62
TPSA1253.00 Ų
H-Bond Donors
H-Bond Acceptors100
Rotatable Bonds
Heavy Atoms390
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005667.73
LogP ≤ 536.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 10100

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxirane);oxirane?
The IUPAC name of (2-methyloxirane);oxirane (CID 173423277) is (2-methyloxirane);oxirane.
What is the SMILES notation for (2-methyloxirane);oxirane?
The canonical SMILES for (2-methyloxirane);oxirane is C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.C1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.CC1CO1.
What is the InChIKey of (2-methyloxirane);oxirane?
The InChIKey is YZRORMMVYIJWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/90C3H6O.10C2H4O/c90*1-3-2-4-3;10*1-2-3-1/h90*3H,2H2,1H3;10*1-2H2.
What are the key properties of (2-methyloxirane);oxirane?
(2-methyloxirane);oxirane has a molecular weight of 5667.73 g/mol, XLogP of 36.62, 0 rotatable bonds, 0 hydrogen bond donors, and 100 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxirane);oxirane is sourced from PubChem (CID 173423277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).