(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate

C12H18O4 — CID 91086241

IUPAC(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate
SMILESCC(=CCCC1CO1)C(=O)OCC1OC1C
InChIInChI=1S/C12H18O4/c1-8(4-3-5-10-6-14-10)12(13)15-7-11-9(2)16-11/h4,9-11H,3,5-7H2,1-2H3
InChIKeyBNXULLHQZJGTTA-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.44
Rot. Bonds6

About (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate

(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate (PubChem CID 91086241) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate.

Molecular Properties

Compound Name(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate
PubChem CID91086241
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate
SMILESCC(=CCCC1CO1)C(=O)OCC1OC1C
InChIInChI=1S/C12H18O4/c1-8(4-3-5-10-6-14-10)12(13)15-7-11-9(2)16-11/h4,9-11H,3,5-7H2,1-2H3
InChIKeyBNXULLHQZJGTTA-UHFFFAOYSA-N
XLogP1.44
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

oxiran-2-ylmethyl 2-methylpent-2-enoate
CID 57029570
(E)-2-methyl-5-(oxiran-2-yl)pent-2-enoate
CID 22723709
ethoxyethane;oxiran-2-ylmethyl (E)-9-hydroxy-2-methylnon-2-enoate
CID 87621476
(E)-3-methyl-4-(oxiran-2-ylmethoxy)-4-oxobut-2-enoic acid
CID 22806703
oxiran-2-ylmethyl 3-ethoxy-2-methylprop-2-enoate
CID 175102529
(E)-2-methyl-12-(oxiran-2-yl)dodec-2-enoic acid
CID 87113705
oxiran-2-ylmethyl (E)-2,4-dimethylpent-2-enoate
CID 166173884
oxetan-3-ylmethyl (E)-2-methylhept-2-enoate
CID 22186337
oxiran-2-ylmethyl 4-chloro-2-methylpenta-2,4-dienoate
CID 174397183
2-[carboxymethyl-[2-methyl-3-(oxiran-2-ylmethoxy)-3-oxoprop-1-enyl]amino]acetic acid
CID 91152048
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947

Frequently Asked Questions

What is the IUPAC name of (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate?
The IUPAC name of (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate (CID 91086241) is (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate.
What is the SMILES notation for (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate?
The canonical SMILES for (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate is CC(=CCCC1CO1)C(=O)OCC1OC1C.
What is the InChIKey of (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate?
The InChIKey is BNXULLHQZJGTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-8(4-3-5-10-6-14-10)12(13)15-7-11-9(2)16-11/h4,9-11H,3,5-7H2,1-2H3.
What are the key properties of (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate?
(3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate has a molecular weight of 226.27 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxiran-2-yl)methyl 2-methyl-5-(oxiran-2-yl)pent-2-enoate is sourced from PubChem (CID 91086241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).