3-[[(E)-prop-1-enoxy]methyl]oxane

C9H16O2 — CID 176603518

IUPAC3-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCCOC1
InChIInChI=1S/C9H16O2/c1-2-5-10-7-9-4-3-6-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyQFFFAGBIQUYVSP-GORDUTHDSA-N
MW156.23 g/mol
LogP1.96
Rot. Bonds3

About 3-[[(E)-prop-1-enoxy]methyl]oxane

3-[[(E)-prop-1-enoxy]methyl]oxane (PubChem CID 176603518) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-[[(E)-prop-1-enoxy]methyl]oxane.

Molecular Properties

Compound Name3-[[(E)-prop-1-enoxy]methyl]oxane
PubChem CID176603518
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name3-[[(E)-prop-1-enoxy]methyl]oxane
SMILESC/C=C/OCC1CCCOC1
InChIInChI=1S/C9H16O2/c1-2-5-10-7-9-4-3-6-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+
InChIKeyQFFFAGBIQUYVSP-GORDUTHDSA-N
XLogP1.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(prop-1-enoxymethyl)-1,5,7,11-tetraoxaspiro[5.5]undecane
CID 150161770
3-(3-ethenoxypropyl)oxane
CID 176603417
3-(2-bromopropyl)oxane
CID 164664099
1-(oxan-3-yl)propan-2-amine
CID 63737520
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
1-cyclopentyl-N-(oxan-3-ylmethyl)methanamine
CID 61342622
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
ethane;3-(methoxymethyl)oxolane
CID 143285946
3-(2-chloroethyl)oxane
CID 64867917
3-(3-methylsulfanyloxypropyl)oxane
CID 143739199
oxane-3-carbaldehyde;oxan-3-ylmethanol
CID 159628302

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxane?
The IUPAC name of 3-[[(E)-prop-1-enoxy]methyl]oxane (CID 176603518) is 3-[[(E)-prop-1-enoxy]methyl]oxane.
What is the SMILES notation for 3-[[(E)-prop-1-enoxy]methyl]oxane?
The canonical SMILES for 3-[[(E)-prop-1-enoxy]methyl]oxane is C/C=C/OCC1CCCOC1.
What is the InChIKey of 3-[[(E)-prop-1-enoxy]methyl]oxane?
The InChIKey is QFFFAGBIQUYVSP-GORDUTHDSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-5-10-7-9-4-3-6-11-8-9/h2,5,9H,3-4,6-8H2,1H3/b5-2+.
What are the key properties of 3-[[(E)-prop-1-enoxy]methyl]oxane?
3-[[(E)-prop-1-enoxy]methyl]oxane has a molecular weight of 156.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-prop-1-enoxy]methyl]oxane is sourced from PubChem (CID 176603518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).