5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid

C19H24O5 — CID 58828227

IUPAC5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid
SMILESC=CC1CCC2C(C)(C1)C(C(=O)O)C1C23C=CC(O)C1(C)C(=O)O3
InChIInChI=1S/C19H24O5/c1-4-10-5-6-11-17(2,9-10)13(15(21)22)14-18(3)12(20)7-8-19(11,14)24-16(18)23/h4,7-8,10-14,20H,1,5-6,9H2,2-3H3,(H,21,22)
InChIKeyRSVRFCHUHYXDPZ-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.16
Rot. Bonds2

About 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid

5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid (PubChem CID 58828227) has the molecular formula C19H24O5 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid.

Molecular Properties

Compound Name5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid
PubChem CID58828227
Molecular FormulaC19H24O5
Molecular Weight332.40 g/mol
Exact Mass332.16
IUPAC Name5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid
SMILESC=CC1CCC2C(C)(C1)C(C(=O)O)C1C23C=CC(O)C1(C)C(=O)O3
InChIInChI=1S/C19H24O5/c1-4-10-5-6-11-17(2,9-10)13(15(21)22)14-18(3)12(20)7-8-19(11,14)24-16(18)23/h4,7-8,10-14,20H,1,5-6,9H2,2-3H3,(H,21,22)
InChIKeyRSVRFCHUHYXDPZ-UHFFFAOYSA-N
XLogP2.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid?
The IUPAC name of 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid (CID 58828227) is 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid.
What is the SMILES notation for 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid?
The canonical SMILES for 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid is C=CC1CCC2C(C)(C1)C(C(=O)O)C1C23C=CC(O)C1(C)C(=O)O3.
What is the InChIKey of 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid?
The InChIKey is RSVRFCHUHYXDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O5/c1-4-10-5-6-11-17(2,9-10)13(15(21)22)14-18(3)12(20)7-8-19(11,14)24-16(18)23/h4,7-8,10-14,20H,1,5-6,9H2,2-3H3,(H,21,22).
What are the key properties of 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid?
5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-11-hydroxy-7,10-dimethyl-15-oxo-14-oxatetracyclo[8.3.2.01,9.02,7]pentadec-12-ene-8-carboxylic acid is sourced from PubChem (CID 58828227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).