(4-methyl-5-oxooxolan-2-yl)methyl formate

C7H10O4 — CID 162736854

IUPAC(4-methyl-5-oxooxolan-2-yl)methyl formate
SMILESCC1CC(COC=O)OC1=O
InChIInChI=1S/C7H10O4/c1-5-2-6(3-10-4-8)11-7(5)9/h4-6H,2-3H2,1H3
InChIKeyLZZHTKIGXCBJCZ-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.11
Rot. Bonds3

About (4-methyl-5-oxooxolan-2-yl)methyl formate

(4-methyl-5-oxooxolan-2-yl)methyl formate (PubChem CID 162736854) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is (4-methyl-5-oxooxolan-2-yl)methyl formate.

Molecular Properties

Compound Name(4-methyl-5-oxooxolan-2-yl)methyl formate
PubChem CID162736854
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name(4-methyl-5-oxooxolan-2-yl)methyl formate
SMILESCC1CC(COC=O)OC1=O
InChIInChI=1S/C7H10O4/c1-5-2-6(3-10-4-8)11-7(5)9/h4-6H,2-3H2,1H3
InChIKeyLZZHTKIGXCBJCZ-UHFFFAOYSA-N
XLogP0.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-5-oxooxolan-2-yl)methyl formate?
The IUPAC name of (4-methyl-5-oxooxolan-2-yl)methyl formate (CID 162736854) is (4-methyl-5-oxooxolan-2-yl)methyl formate.
What is the SMILES notation for (4-methyl-5-oxooxolan-2-yl)methyl formate?
The canonical SMILES for (4-methyl-5-oxooxolan-2-yl)methyl formate is CC1CC(COC=O)OC1=O.
What is the InChIKey of (4-methyl-5-oxooxolan-2-yl)methyl formate?
The InChIKey is LZZHTKIGXCBJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-5-2-6(3-10-4-8)11-7(5)9/h4-6H,2-3H2,1H3.
What are the key properties of (4-methyl-5-oxooxolan-2-yl)methyl formate?
(4-methyl-5-oxooxolan-2-yl)methyl formate has a molecular weight of 158.15 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-5-oxooxolan-2-yl)methyl formate is sourced from PubChem (CID 162736854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).