propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate

C10H18O4 — CID 134998176

IUPACpropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCC(O)O1
InChIInChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3
InChIKeyZDEZMSZESWQTDH-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.22
Rot. Bonds3

About propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate

propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate (PubChem CID 134998176) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
PubChem CID134998176
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namepropan-2-yl 2-(6-hydroxyoxan-2-yl)acetate
SMILESCC(C)OC(=O)CC1CCCC(O)O1
InChIInChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3
InChIKeyZDEZMSZESWQTDH-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Daumone
CID 11471380
(8R)-8-[(3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
CID 86289662
(7R)-7-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)octanoic acid
CID 86289672
7-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)heptanoic acid
CID 86289768
9-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)nonanoic acid
CID 86289772
8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octanoic acid
CID 86289774
(3R,8R)-8-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxynonanoic acid
CID 86289814
(3R,9R)-9-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxydecanoic acid
CID 86289816
(3R,10R)-10-((3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxyundecanoic acid
CID 86289818
(3R,11R)-11-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydodecanoic acid
CID 86289819
(3R,12R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytridecanoic acid
CID 86289820
(3R,13R)-13-((3,6-Dideoxy-alpha-L-arabino-hexopyranosyl)oxy)-3-hydroxytetradecanoic acid
CID 86289821

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate (CID 134998176) is propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate is CC(C)OC(=O)CC1CCCC(O)O1.
What is the InChIKey of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
The InChIKey is ZDEZMSZESWQTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)13-10(12)6-8-4-3-5-9(11)14-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate?
propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate has a molecular weight of 202.25 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-hydroxyoxan-2-yl)acetate is sourced from PubChem (CID 134998176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).