3-[1-[(E)-prop-1-enoxy]ethyl]oxolane

C9H16O2 — CID 176604277

IUPAC3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OC(C)C1CCOC1
InChIInChI=1S/C9H16O2/c1-3-5-11-8(2)9-4-6-10-7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyNNAFZHZSAMBQHH-HWKANZROSA-N
MW156.22 g/mol
LogP1.96
Rot. Bonds3

About 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane

3-[1-[(E)-prop-1-enoxy]ethyl]oxolane (PubChem CID 176604277) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane.

Molecular Properties

Compound Name3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
PubChem CID176604277
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-[1-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OC(C)C1CCOC1
InChIInChI=1S/C9H16O2/c1-3-5-11-8(2)9-4-6-10-7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+
InChIKeyNNAFZHZSAMBQHH-HWKANZROSA-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 ≤ 500156.22
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

(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
3-(1-ethoxyethyl)oxolane
CID 11788363
4-(1-ethenoxyethyl)oxane
CID 176603698
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
3-(3-methylbutan-2-yl)oxolane
CID 123661278
3-[(2S)-3-methylbutan-2-yl]oxolane
CID 166765635
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
3-(3-methyl-1-propan-2-yloxybutan-2-yl)oxolane
CID 58499108
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
1-(oxolan-3-yl)ethyl trifluoromethanesulfonate
CID 102621715
3-[1-[(E)-prop-1-enoxy]ethyl]thiepane 1-oxide
CID 176605211
(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
CID 125041775

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane?
The IUPAC name of 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane (CID 176604277) is 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane.
What is the SMILES notation for 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane?
The canonical SMILES for 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane is C/C=C/OC(C)C1CCOC1.
What is the InChIKey of 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane?
The InChIKey is NNAFZHZSAMBQHH-HWKANZROSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-11-8(2)9-4-6-10-7-9/h3,5,8-9H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 3-[1-[(E)-prop-1-enoxy]ethyl]oxolane?
3-[1-[(E)-prop-1-enoxy]ethyl]oxolane has a molecular weight of 156.22 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-[1-[(E)-prop-1-enoxy]ethyl]oxolane is sourced from PubChem (CID 176604277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).