3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid

C18H32O5 — CID 66728553

IUPAC3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid
SMILESCCCCCCCCCC(=O)C1C(O)CC(O)C1CCC(=O)O
InChIInChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-14(19)18-13(10-11-17(22)23)15(20)12-16(18)21/h13,15-16,18,20-21H,2-12H2,1H3,(H,22,23)
InChIKeyBCTIVKXYIBAHHM-UHFFFAOYSA-N
MW328.45 g/mol
LogP2.92
Rot. Bonds12

About 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid

3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid (PubChem CID 66728553) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid
PubChem CID66728553
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid
SMILESCCCCCCCCCC(=O)C1C(O)CC(O)C1CCC(=O)O
InChIInChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-14(19)18-13(10-11-17(22)23)15(20)12-16(18)21/h13,15-16,18,20-21H,2-12H2,1H3,(H,22,23)
InChIKeyBCTIVKXYIBAHHM-UHFFFAOYSA-N
XLogP2.92
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
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 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid?
The IUPAC name of 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid (CID 66728553) is 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid.
What is the SMILES notation for 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid?
The canonical SMILES for 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid is CCCCCCCCCC(=O)C1C(O)CC(O)C1CCC(=O)O.
What is the InChIKey of 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid?
The InChIKey is BCTIVKXYIBAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c1-2-3-4-5-6-7-8-9-14(19)18-13(10-11-17(22)23)15(20)12-16(18)21/h13,15-16,18,20-21H,2-12H2,1H3,(H,22,23).
What are the key properties of 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid?
3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid has a molecular weight of 328.45 g/mol, XLogP of 2.92, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-decanoyl-3,5-dihydroxycyclopentyl)propanoic acid is sourced from PubChem (CID 66728553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).