formaldehyde;oxolane

C9H18O3 — CID 174849713

IUPACformaldehyde;oxolane
SMILESC1CCOC1.C1CCOC1.C=O
InChIInChI=1S/2C4H8O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-4H2;1H2
InChIKeyBEHONTUCZMCTNV-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.41
Rot. Bonds

About formaldehyde;oxolane

formaldehyde;oxolane (PubChem CID 174849713) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is formaldehyde;oxolane.

Molecular Properties

Compound Nameformaldehyde;oxolane
PubChem CID174849713
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Nameformaldehyde;oxolane
SMILESC1CCOC1.C1CCOC1.C=O
InChIInChI=1S/2C4H8O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-4H2;1H2
InChIKeyBEHONTUCZMCTNV-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;oxolane?
The IUPAC name of formaldehyde;oxolane (CID 174849713) is formaldehyde;oxolane.
What is the SMILES notation for formaldehyde;oxolane?
The canonical SMILES for formaldehyde;oxolane is C1CCOC1.C1CCOC1.C=O.
What is the InChIKey of formaldehyde;oxolane?
The InChIKey is BEHONTUCZMCTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.CH2O/c2*1-2-4-5-3-1;1-2/h2*1-4H2;1H2.
What are the key properties of formaldehyde;oxolane?
formaldehyde;oxolane has a molecular weight of 174.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;oxolane is sourced from PubChem (CID 174849713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).