methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate

C10H16O4 — CID 10352749

IUPACmethyl 3-acetyloxy-4-methyl-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(OC(C)=O)C(C)C
InChIInChI=1S/C10H16O4/c1-6(2)9(14-8(4)11)7(3)10(12)13-5/h6,9H,3H2,1-2,4-5H3
InChIKeyOVDOEWDNRKDHQH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.30
Rot. Bonds4

About methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate

methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate (PubChem CID 10352749) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 3-acetyloxy-4-methyl-2-methylidenepentanoate
PubChem CID10352749
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 3-acetyloxy-4-methyl-2-methylidenepentanoate
SMILESC=C(C(=O)OC)C(OC(C)=O)C(C)C
InChIInChI=1S/C10H16O4/c1-6(2)9(14-8(4)11)7(3)10(12)13-5/h6,9H,3H2,1-2,4-5H3
InChIKeyOVDOEWDNRKDHQH-UHFFFAOYSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate?
The IUPAC name of methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate (CID 10352749) is methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate.
What is the SMILES notation for methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate?
The canonical SMILES for methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate is C=C(C(=O)OC)C(OC(C)=O)C(C)C.
What is the InChIKey of methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate?
The InChIKey is OVDOEWDNRKDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-6(2)9(14-8(4)11)7(3)10(12)13-5/h6,9H,3H2,1-2,4-5H3.
What are the key properties of methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate?
methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate has a molecular weight of 200.23 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-acetyloxy-4-methyl-2-methylidenepentanoate is sourced from PubChem (CID 10352749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).