(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate

C10H14O3 — CID 140976676

IUPAC(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C1OC1CCC
InChIInChI=1S/C10H14O3/c1-4-5-8-9(13-8)6-12-10(11)7(2)3/h6,8H,2,4-5H2,1,3H3
InChIKeyBGUSAWQOUPTRSN-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.15
Rot. Bonds4

About (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate

(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate (PubChem CID 140976676) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate
PubChem CID140976676
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC=C1OC1CCC
InChIInChI=1S/C10H14O3/c1-4-5-8-9(13-8)6-12-10(11)7(2)3/h6,8H,2,4-5H2,1,3H3
InChIKeyBGUSAWQOUPTRSN-UHFFFAOYSA-N
XLogP2.15
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2-propyl-1,3-dioxol-4-yl)methyl 2-methylprop-2-enoate
CID 155797165
2-(2-methylprop-2-enoyloxymethylidene)pentanoic acid
CID 91478998
propan-2-yl 2-methylprop-2-enoate;2-propylcyclopropan-1-one
CID 18784426
(4-propylcyclohexyl)methyl 2-methylprop-2-enoate
CID 123563318
[(E)-2-hydroxyprop-1-enyl] 2-methylprop-2-enoate
CID 139627237
[methoxy(dimethyl)silyl] 2-methylprop-2-enoate
CID 87401455
ethyl 2-methylprop-2-enoate
CID 130475774
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083
azane;propyl 2-methylprop-2-enoate
CID 172812841
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
butyl 2-methylprop-2-enoate;methyl methanesulfonate
CID 175093027
[3-(ethylamino)-3-oxoprop-1-enyl] 2-methylprop-2-enoate
CID 151233614

Frequently Asked Questions

What is the IUPAC name of (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate?
The IUPAC name of (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate (CID 140976676) is (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate?
The canonical SMILES for (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC=C1OC1CCC.
What is the InChIKey of (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate?
The InChIKey is BGUSAWQOUPTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-5-8-9(13-8)6-12-10(11)7(2)3/h6,8H,2,4-5H2,1,3H3.
What are the key properties of (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate?
(3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate has a molecular weight of 182.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propyloxiran-2-ylidene)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 140976676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).