1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one

C10H18O3 — CID 121475555

IUPAC1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one
SMILESCCC(=O)C1(O)CCCC(CC)O1
InChIInChI=1S/C10H18O3/c1-3-8-6-5-7-10(12,13-8)9(11)4-2/h8,12H,3-7H2,1-2H3
InChIKeyAPNOYKIHTYRHAJ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.63
Rot. Bonds3

About 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one

1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one (PubChem CID 121475555) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one
PubChem CID121475555
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one
SMILESCCC(=O)C1(O)CCCC(CC)O1
InChIInChI=1S/C10H18O3/c1-3-8-6-5-7-10(12,13-8)9(11)4-2/h8,12H,3-7H2,1-2H3
InChIKeyAPNOYKIHTYRHAJ-UHFFFAOYSA-N
XLogP1.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one?
The IUPAC name of 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one (CID 121475555) is 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one.
What is the SMILES notation for 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one?
The canonical SMILES for 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one is CCC(=O)C1(O)CCCC(CC)O1.
What is the InChIKey of 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one?
The InChIKey is APNOYKIHTYRHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8-6-5-7-10(12,13-8)9(11)4-2/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one?
1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-hydroxyoxan-2-yl)propan-1-one is sourced from PubChem (CID 121475555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).