2-ethoxy-5-methylheptan-3-one

C10H20O2 — CID 64540469

IUPAC2-ethoxy-5-methylheptan-3-one
SMILESCCOC(C)C(=O)CC(C)CC
InChIInChI=1S/C10H20O2/c1-5-8(3)7-10(11)9(4)12-6-2/h8-9H,5-7H2,1-4H3
InChIKeyAZIWHSPDVUSQCA-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds6

About 2-ethoxy-5-methylheptan-3-one

2-ethoxy-5-methylheptan-3-one (PubChem CID 64540469) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-ethoxy-5-methylheptan-3-one.

Molecular Properties

Compound Name2-ethoxy-5-methylheptan-3-one
PubChem CID64540469
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-ethoxy-5-methylheptan-3-one
SMILESCCOC(C)C(=O)CC(C)CC
InChIInChI=1S/C10H20O2/c1-5-8(3)7-10(11)9(4)12-6-2/h8-9H,5-7H2,1-4H3
InChIKeyAZIWHSPDVUSQCA-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-5-methylhex-5-en-3-one
CID 79178457
ethyl (3R)-3-methylpentanoate
CID 7567160
4-amino-3,7-dimethylnonan-5-one
CID 116552681
2-ethoxy-6-methylheptan-3-one
CID 64539848
CID 21266963
CID 21266963
2-ethoxy-5-methylideneheptan-3-one
CID 66046478
2-ethoxypropanoic acid;methane
CID 160636954
2-ethoxy-6,6-dimethylheptan-3-one
CID 64539235
ethyl 5-ethoxy-4-oxohexanoate
CID 66324240
[(2R)-2-ethoxypropanoyl]azanium chloride
CID 163361929
sodium 2-ethoxypropanoate
CID 141029681
amino 2-ethoxypropanoate
CID 87914402

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-methylheptan-3-one?
The IUPAC name of 2-ethoxy-5-methylheptan-3-one (CID 64540469) is 2-ethoxy-5-methylheptan-3-one.
What is the SMILES notation for 2-ethoxy-5-methylheptan-3-one?
The canonical SMILES for 2-ethoxy-5-methylheptan-3-one is CCOC(C)C(=O)CC(C)CC.
What is the InChIKey of 2-ethoxy-5-methylheptan-3-one?
The InChIKey is AZIWHSPDVUSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-8(3)7-10(11)9(4)12-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-5-methylheptan-3-one?
2-ethoxy-5-methylheptan-3-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-methylheptan-3-one is sourced from PubChem (CID 64540469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).