5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid

C18H24O4 — CID 58512972

IUPAC5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid
SMILESC=C1CC23CC1CCC2C1(OC)C=CC(O)CC1C3C(=O)O
InChIInChI=1S/C18H24O4/c1-10-8-17-9-11(10)3-4-14(17)18(22-2)6-5-12(19)7-13(18)15(17)16(20)21/h5-6,11-15,19H,1,3-4,7-9H2,2H3,(H,20,21)
InChIKeySQVDQAQUHOLNJO-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.39
Rot. Bonds2

About 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid

5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid (PubChem CID 58512972) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid
PubChem CID58512972
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid
SMILESC=C1CC23CC1CCC2C1(OC)C=CC(O)CC1C3C(=O)O
InChIInChI=1S/C18H24O4/c1-10-8-17-9-11(10)3-4-14(17)18(22-2)6-5-12(19)7-13(18)15(17)16(20)21/h5-6,11-15,19H,1,3-4,7-9H2,2H3,(H,20,21)
InChIKeySQVDQAQUHOLNJO-UHFFFAOYSA-N
XLogP2.39
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid with MolForge

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Related Compounds

(+)-Gibberellic Acid
CID 6466
Gibberellin A7
CID 92782
Gibberellin
CID 522636
(1alpha,3beta,4aalpha,4bbeta,10beta)-3,7-Dihydroxy-1,4a-dimethyl-8-methylenegibbane-1,10-dicarboxylic acid
CID 25203278
(1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo(9.3.2.15,8.01,10.02,8)heptadec-13-ene-9-carboxylic acid
CID 439551
Gibb-2-ene-1,10-dicarboxylic acid, 4,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,4beta,4aalpha,4bbeta,10beta)-
CID 101603126
Gibberellin A87
CID 101663385
Gibberellin A30
CID 21596344
Gibberellic Acid 3-Isolactone
CID 12897222
(1S,2S,3R,4S,5S,9S,12S)-5,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2,4-dicarboxylic acid
CID 139594753
(1S,2S,3S,4S,10R,13S,17R)-13,17-dihydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.14,7.01,10.03,9]heptadec-8-ene-2-carboxylic acid
CID 139597113
Gibberellin A68
CID 14605557

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid?
The IUPAC name of 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid (CID 58512972) is 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid.
What is the SMILES notation for 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid?
The canonical SMILES for 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid is C=C1CC23CC1CCC2C1(OC)C=CC(O)CC1C3C(=O)O.
What is the InChIKey of 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid?
The InChIKey is SQVDQAQUHOLNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-10-8-17-9-11(10)3-4-14(17)18(22-2)6-5-12(19)7-13(18)15(17)16(20)21/h5-6,11-15,19H,1,3-4,7-9H2,2H3,(H,20,21).
What are the key properties of 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid?
5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid has a molecular weight of 304.39 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-methoxy-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadec-6-ene-2-carboxylic acid is sourced from PubChem (CID 58512972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).