(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate

C13H18O5 — CID 57315009

IUPAC(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate
SMILESCCC=C(CCC)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C13H18O5/c1-4-6-10(7-5-2)12(14)16-8-11-9(3)17-13(15)18-11/h6H,4-5,7-8H2,1-3H3
InChIKeyQGUZAAZDNDERND-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.72
Rot. Bonds6

About (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate (PubChem CID 57315009) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate.

Molecular Properties

Compound Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate
PubChem CID57315009
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate
SMILESCCC=C(CCC)C(=O)OCc1oc(=O)oc1C
InChIInChI=1S/C13H18O5/c1-4-6-10(7-5-2)12(14)16-8-11-9(3)17-13(15)18-11/h6H,4-5,7-8H2,1-3H3
InChIKeyQGUZAAZDNDERND-UHFFFAOYSA-N
XLogP2.72
TPSA69.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-Di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
CID 18935929
diethyl (E)-2-propylbut-2-enedioate
CID 12508253
ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate
CID 5387033
2,2-Di(cyclopenten-1-yloxy)ethyl 4,4,4-trifluoro-2-methylbut-2-enoate
CID 175419222
(3-Methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
CID 57000614
diethyl (Z)-2-propylbut-2-enedioate
CID 12508254
diethyl (E)-2-but-3-enyl-3-methoxybut-2-enedioate
CID 14183977
Methyl 6-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)oct-5-enoate
CID 76448050
4-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-hydroxy-2H-furan-5-one
CID 92036963
ethyl (E)-2-methyl-4-(2-methyl-1,3-dioxolan-2-yl)but-2-enoate
CID 121006347
ethyl (2E)-4-methyl-2-(oxolan-2-ylidene)pent-4-enoate
CID 134975079
Pregaliellactone E
CID 139586530

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate?
The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate (CID 57315009) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate.
What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate?
The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate is CCC=C(CCC)C(=O)OCc1oc(=O)oc1C.
What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate?
The InChIKey is QGUZAAZDNDERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-4-6-10(7-5-2)12(14)16-8-11-9(3)17-13(15)18-11/h6H,4-5,7-8H2,1-3H3.
What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate?
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate has a molecular weight of 254.28 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-propylpent-2-enoate is sourced from PubChem (CID 57315009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).