6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one

C10H18O4 — CID 71380944

IUPAC6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one
SMILESCCOC1OC(C)C(=O)CC1C(C)O
InChIInChI=1S/C10H18O4/c1-4-13-10-8(6(2)11)5-9(12)7(3)14-10/h6-8,10-11H,4-5H2,1-3H3
InChIKeyNIHNRNCOXANYQN-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.72
Rot. Bonds3

About 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one

6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one (PubChem CID 71380944) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one.

Molecular Properties

Compound Name6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one
PubChem CID71380944
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one
SMILESCCOC1OC(C)C(=O)CC1C(C)O
InChIInChI=1S/C10H18O4/c1-4-13-10-8(6(2)11)5-9(12)7(3)14-10/h6-8,10-11H,4-5H2,1-3H3
InChIKeyNIHNRNCOXANYQN-UHFFFAOYSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2,3-diethoxyoxirane
CID 10701862
(5S,6S)-5,6-diethyl-2-methyloxan-3-one
CID 59163894
(2S,5R,6S)-5,6-dihydroxy-2-methyloxan-3-one
CID 90657639
(2S,3R,5S,6S)-2,3,5,6-tetraethoxy-4-methyloxane
CID 162134537
(2R,5R)-5-(iodomethyl)-2-methyloxolan-3-one
CID 14780680
2-(diethoxymethyl)cyclopropan-1-one
CID 134937262
(2R)-2-[(2R,3aS,7aR)-2-ethoxy-6-methylidene-3,3a,7,7a-tetrahydro-2H-1-benzofuran-5-yl]propan-1-ol
CID 11010022
ethyl 2-(2-ethoxyoxolan-3-yl)-2-hydroxyacetate
CID 59281677
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
cis-(3R,4S)-3-methyl-4-(1-nitroethyl)cyclopentan-1-one;ethyl acetate
CID 70391685
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
2-ethyl-3-methyl-4-propan-2-ylcyclopentan-1-one
CID 67944984

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one?
The IUPAC name of 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one (CID 71380944) is 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one.
What is the SMILES notation for 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one?
The canonical SMILES for 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one is CCOC1OC(C)C(=O)CC1C(C)O.
What is the InChIKey of 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one?
The InChIKey is NIHNRNCOXANYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-13-10-8(6(2)11)5-9(12)7(3)14-10/h6-8,10-11H,4-5H2,1-3H3.
What are the key properties of 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one?
6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one has a molecular weight of 202.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-(1-hydroxyethyl)-2-methyloxan-3-one is sourced from PubChem (CID 71380944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).