[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate

C19H32O6 — CID 23158021

IUPAC[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate
SMILESCC(=O)OC1CCC(C(C)(C)C2CCC(OC(C)=O)C(O)C2)CC1O
InChIInChI=1S/C19H32O6/c1-11(20)24-17-7-5-13(9-15(17)22)19(3,4)14-6-8-18(16(23)10-14)25-12(2)21/h13-18,22-23H,5-10H2,1-4H3
InChIKeyXHSGIABXJPMOFR-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.20
Rot. Bonds4

About [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate

[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate (PubChem CID 23158021) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate.

Molecular Properties

Compound Name[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate
PubChem CID23158021
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate
SMILESCC(=O)OC1CCC(C(C)(C)C2CCC(OC(C)=O)C(O)C2)CC1O
InChIInChI=1S/C19H32O6/c1-11(20)24-17-7-5-13(9-15(17)22)19(3,4)14-6-8-18(16(23)10-14)25-12(2)21/h13-18,22-23H,5-10H2,1-4H3
InChIKeyXHSGIABXJPMOFR-UHFFFAOYSA-N
XLogP2.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate?
The IUPAC name of [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate (CID 23158021) is [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate.
What is the SMILES notation for [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate?
The canonical SMILES for [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate is CC(=O)OC1CCC(C(C)(C)C2CCC(OC(C)=O)C(O)C2)CC1O.
What is the InChIKey of [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate?
The InChIKey is XHSGIABXJPMOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c1-11(20)24-17-7-5-13(9-15(17)22)19(3,4)14-6-8-18(16(23)10-14)25-12(2)21/h13-18,22-23H,5-10H2,1-4H3.
What are the key properties of [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate?
[4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate has a molecular weight of 356.46 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-acetyloxy-3-hydroxycyclohexyl)propan-2-yl]-2-hydroxycyclohexyl] acetate is sourced from PubChem (CID 23158021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).