2-(oxan-2-yl)ethyl prop-2-enoate

C10H16O3 — CID 141407078

IUPAC2-(oxan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCCCO1
InChIInChI=1S/C10H16O3/c1-2-10(11)13-8-6-9-5-3-4-7-12-9/h2,9H,1,3-8H2
InChIKeyZMTXPSGCCKYPSL-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About 2-(oxan-2-yl)ethyl prop-2-enoate

2-(oxan-2-yl)ethyl prop-2-enoate (PubChem CID 141407078) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(oxan-2-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(oxan-2-yl)ethyl prop-2-enoate
PubChem CID141407078
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(oxan-2-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCC1CCCCO1
InChIInChI=1S/C10H16O3/c1-2-10(11)13-8-6-9-5-3-4-7-12-9/h2,9H,1,3-8H2
InChIKeyZMTXPSGCCKYPSL-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
4-(oxetan-2-ylmethoxy)butyl prop-2-enoate
CID 172840371
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
3-[methyl(oxan-2-yl)silyl]propyl prop-2-enoate
CID 123433393
2-(4-ethenoxybutyl)oxane
CID 156762670
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
5-(oxan-2-yl)pentyl acetate
CID 66871710
2-(2-prop-2-enoyloxyethyl)cyclohexane-1-carboxylic acid
CID 59129651
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(oxan-2-yl)ethyl prop-2-enoate (CID 141407078) is 2-(oxan-2-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(oxan-2-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(oxan-2-yl)ethyl prop-2-enoate is C=CC(=O)OCCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)ethyl prop-2-enoate?
The InChIKey is ZMTXPSGCCKYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-10(11)13-8-6-9-5-3-4-7-12-9/h2,9H,1,3-8H2.
What are the key properties of 2-(oxan-2-yl)ethyl prop-2-enoate?
2-(oxan-2-yl)ethyl prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)ethyl prop-2-enoate is sourced from PubChem (CID 141407078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).