(5-methyloxolan-2-yl) prop-2-enoate

C8H12O3 — CID 54024158

IUPAC(5-methyloxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(C)O1
InChIInChI=1S/C8H12O3/c1-3-7(9)11-8-5-4-6(2)10-8/h3,6,8H,1,4-5H2,2H3
InChIKeyLAZIOGJXQHMXAQ-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.24
Rot. Bonds2

About (5-methyloxolan-2-yl) prop-2-enoate

(5-methyloxolan-2-yl) prop-2-enoate (PubChem CID 54024158) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (5-methyloxolan-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(5-methyloxolan-2-yl) prop-2-enoate
PubChem CID54024158
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(5-methyloxolan-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1CCC(C)O1
InChIInChI=1S/C8H12O3/c1-3-7(9)11-8-5-4-6(2)10-8/h3,6,8H,1,4-5H2,2H3
InChIKeyLAZIOGJXQHMXAQ-UHFFFAOYSA-N
XLogP1.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.24
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

(7-methyl-1,4-dioxepan-2-yl) prop-2-enoate
CID 58183699
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
[5,5-bis(trifluoromethyl)oxolan-2-yl] prop-2-enoate
CID 146492780
CID 159294157
CID 159294157
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
(7-methyl-1,4-oxathiepan-3-yl) prop-2-enoate
CID 58183594
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
(5R)-2-methoxy-5-methyloxolane
CID 70228275
(2-methyloxolan-3-yl) 2-methyl-3-prop-2-enoyloxypropanoate
CID 174524002
2-(4-methyloxetan-2-yl)ethyl prop-2-enoate
CID 121410457
(6-oxooxan-2-yl) prop-2-enoate
CID 67204371

Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-2-yl) prop-2-enoate?
The IUPAC name of (5-methyloxolan-2-yl) prop-2-enoate (CID 54024158) is (5-methyloxolan-2-yl) prop-2-enoate.
What is the SMILES notation for (5-methyloxolan-2-yl) prop-2-enoate?
The canonical SMILES for (5-methyloxolan-2-yl) prop-2-enoate is C=CC(=O)OC1CCC(C)O1.
What is the InChIKey of (5-methyloxolan-2-yl) prop-2-enoate?
The InChIKey is LAZIOGJXQHMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-7(9)11-8-5-4-6(2)10-8/h3,6,8H,1,4-5H2,2H3.
What are the key properties of (5-methyloxolan-2-yl) prop-2-enoate?
(5-methyloxolan-2-yl) prop-2-enoate has a molecular weight of 156.18 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-2-yl) prop-2-enoate is sourced from PubChem (CID 54024158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).