5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid

C20H28O4 — CID 57279884

IUPAC5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid
SMILESO=C(O)CCC=C=C1CC2C1CC(C=CC(O)C1CCCC1)C2O
InChIInChI=1S/C20H28O4/c21-18(13-5-1-2-6-13)10-9-15-12-16-14(11-17(16)20(15)24)7-3-4-8-19(22)23/h3,9-10,13,15-18,20-21,24H,1-2,4-6,8,11-12H2,(H,22,23)
InChIKeyFPNOGHWJPMQGTE-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.06
Rot. Bonds6

About 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid

5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid (PubChem CID 57279884) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid.

Molecular Properties

Compound Name5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid
PubChem CID57279884
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid
SMILESO=C(O)CCC=C=C1CC2C1CC(C=CC(O)C1CCCC1)C2O
InChIInChI=1S/C20H28O4/c21-18(13-5-1-2-6-13)10-9-15-12-16-14(11-17(16)20(15)24)7-3-4-8-19(22)23/h3,9-10,13,15-18,20-21,24H,1-2,4-6,8,11-12H2,(H,22,23)
InChIKeyFPNOGHWJPMQGTE-UHFFFAOYSA-N
XLogP3.06
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid?
The IUPAC name of 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid (CID 57279884) is 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid.
What is the SMILES notation for 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid?
The canonical SMILES for 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid is O=C(O)CCC=C=C1CC2C1CC(C=CC(O)C1CCCC1)C2O.
What is the InChIKey of 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid?
The InChIKey is FPNOGHWJPMQGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c21-18(13-5-1-2-6-13)10-9-15-12-16-14(11-17(16)20(15)24)7-3-4-8-19(22)23/h3,9-10,13,15-18,20-21,24H,1-2,4-6,8,11-12H2,(H,22,23).
What are the key properties of 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid?
5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid has a molecular weight of 332.44 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyclopentyl-3-hydroxyprop-1-enyl)-2-hydroxy-6-bicyclo[3.2.0]heptanylidene]pent-4-enoic acid is sourced from PubChem (CID 57279884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).