5,5-diethoxy-3-methylidenepentan-2-one

C10H18O3 — CID 10943184

IUPAC5,5-diethoxy-3-methylidenepentan-2-one
SMILESC=C(CC(OCC)OCC)C(C)=O
InChIInChI=1S/C10H18O3/c1-5-12-10(13-6-2)7-8(3)9(4)11/h10H,3,5-7H2,1-2,4H3
InChIKeyOHBSMPJLFSGJPH-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds7

About 5,5-diethoxy-3-methylidenepentan-2-one

5,5-diethoxy-3-methylidenepentan-2-one (PubChem CID 10943184) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5,5-diethoxy-3-methylidenepentan-2-one.

Molecular Properties

Compound Name5,5-diethoxy-3-methylidenepentan-2-one
PubChem CID10943184
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5,5-diethoxy-3-methylidenepentan-2-one
SMILESC=C(CC(OCC)OCC)C(C)=O
InChIInChI=1S/C10H18O3/c1-5-12-10(13-6-2)7-8(3)9(4)11/h10H,3,5-7H2,1-2,4H3
InChIKeyOHBSMPJLFSGJPH-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde bis(2-methacryloylethyl) acetal
CID 129739921
4-(1-Ethoxyethoxy)-2-methylidenebutanal
CID 11401029
1,1-Diethoxy-3-methylbut-3-en-2-one
CID 79495451

Frequently Asked Questions

What is the IUPAC name of 5,5-diethoxy-3-methylidenepentan-2-one?
The IUPAC name of 5,5-diethoxy-3-methylidenepentan-2-one (CID 10943184) is 5,5-diethoxy-3-methylidenepentan-2-one.
What is the SMILES notation for 5,5-diethoxy-3-methylidenepentan-2-one?
The canonical SMILES for 5,5-diethoxy-3-methylidenepentan-2-one is C=C(CC(OCC)OCC)C(C)=O.
What is the InChIKey of 5,5-diethoxy-3-methylidenepentan-2-one?
The InChIKey is OHBSMPJLFSGJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-12-10(13-6-2)7-8(3)9(4)11/h10H,3,5-7H2,1-2,4H3.
What are the key properties of 5,5-diethoxy-3-methylidenepentan-2-one?
5,5-diethoxy-3-methylidenepentan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethoxy-3-methylidenepentan-2-one is sourced from PubChem (CID 10943184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).