6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid

C17H32O5 — CID 22985834

IUPAC6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid
SMILESCCCCC(O)CC1C(O)CC(O)C1CCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-2-3-7-12(18)10-14-13(15(19)11-16(14)20)8-5-4-6-9-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22)
InChIKeyYYCHSAWNWRTJCV-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.32
Rot. Bonds11

About 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid

6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid (PubChem CID 22985834) has the molecular formula C17H32O5 and a molecular weight of 316.44 g/mol. Its IUPAC name is 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid.

Molecular Properties

Compound Name6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid
PubChem CID22985834
Molecular FormulaC17H32O5
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid
SMILESCCCCC(O)CC1C(O)CC(O)C1CCCCCC(=O)O
InChIInChI=1S/C17H32O5/c1-2-3-7-12(18)10-14-13(15(19)11-16(14)20)8-5-4-6-9-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22)
InChIKeyYYCHSAWNWRTJCV-UHFFFAOYSA-N
XLogP2.32
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid?
The IUPAC name of 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid (CID 22985834) is 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid.
What is the SMILES notation for 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid?
The canonical SMILES for 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid is CCCCC(O)CC1C(O)CC(O)C1CCCCCC(=O)O.
What is the InChIKey of 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid?
The InChIKey is YYCHSAWNWRTJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O5/c1-2-3-7-12(18)10-14-13(15(19)11-16(14)20)8-5-4-6-9-17(21)22/h12-16,18-20H,2-11H2,1H3,(H,21,22).
What are the key properties of 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid?
6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid has a molecular weight of 316.44 g/mol, XLogP of 2.32, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-dihydroxy-2-(2-hydroxyhexyl)cyclopentyl]hexanoic acid is sourced from PubChem (CID 22985834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).