2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid

C10H16O5 — CID 18471532

IUPAC2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid
SMILESCC(=O)OC1CC(O)CC(CC(=O)O)C1
InChIInChI=1S/C10H16O5/c1-6(11)15-9-3-7(4-10(13)14)2-8(12)5-9/h7-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyFZMOMGAHDSQOPP-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.55
Rot. Bonds3

About 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid

2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid (PubChem CID 18471532) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid
PubChem CID18471532
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid
SMILESCC(=O)OC1CC(O)CC(CC(=O)O)C1
InChIInChI=1S/C10H16O5/c1-6(11)15-9-3-7(4-10(13)14)2-8(12)5-9/h7-9,12H,2-5H2,1H3,(H,13,14)
InChIKeyFZMOMGAHDSQOPP-UHFFFAOYSA-N
XLogP0.55
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid?
The IUPAC name of 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid (CID 18471532) is 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid.
What is the SMILES notation for 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid?
The canonical SMILES for 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid is CC(=O)OC1CC(O)CC(CC(=O)O)C1.
What is the InChIKey of 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid?
The InChIKey is FZMOMGAHDSQOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-6(11)15-9-3-7(4-10(13)14)2-8(12)5-9/h7-9,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid?
2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid has a molecular weight of 216.23 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyloxy-5-hydroxycyclohexyl)acetic acid is sourced from PubChem (CID 18471532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).