3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one

C19H32O6 — CID 59659579

IUPAC3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one
SMILESO=C1OCCCC1CCC(O)CCCC(O)CCC1CCCOC1=O
InChIInChI=1S/C19H32O6/c20-16(10-8-14-4-2-12-24-18(14)22)6-1-7-17(21)11-9-15-5-3-13-25-19(15)23/h14-17,20-21H,1-13H2
InChIKeyIFIOOYHWUCRSLK-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.35
Rot. Bonds10

About 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one

3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one (PubChem CID 59659579) has the molecular formula C19H32O6 and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one.

Molecular Properties

Compound Name3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one
PubChem CID59659579
Molecular FormulaC19H32O6
Molecular Weight356.46 g/mol
Exact Mass356.22
IUPAC Name3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one
SMILESO=C1OCCCC1CCC(O)CCCC(O)CCC1CCCOC1=O
InChIInChI=1S/C19H32O6/c20-16(10-8-14-4-2-12-24-18(14)22)6-1-7-17(21)11-9-15-5-3-13-25-19(15)23/h14-17,20-21H,1-13H2
InChIKeyIFIOOYHWUCRSLK-UHFFFAOYSA-N
XLogP2.35
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one 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 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one?
The IUPAC name of 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one (CID 59659579) is 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one.
What is the SMILES notation for 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one?
The canonical SMILES for 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one is O=C1OCCCC1CCC(O)CCCC(O)CCC1CCCOC1=O.
What is the InChIKey of 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one?
The InChIKey is IFIOOYHWUCRSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O6/c20-16(10-8-14-4-2-12-24-18(14)22)6-1-7-17(21)11-9-15-5-3-13-25-19(15)23/h14-17,20-21H,1-13H2.
What are the key properties of 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one?
3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one has a molecular weight of 356.46 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,7-dihydroxy-9-(2-oxooxan-3-yl)nonyl]oxan-2-one is sourced from PubChem (CID 59659579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).