6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione

C20H24O5 — CID 74051741

IUPAC6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione
SMILESC=C(C)C1CCC23OC2C(CC(C)=C2C(=O)C=C(C)C2(O)C1)OC3=O
InChIInChI=1S/C20H24O5/c1-10(2)13-5-6-20-17(25-20)15(24-18(20)22)7-11(3)16-14(21)8-12(4)19(16,23)9-13/h8,13,15,17,23H,1,5-7,9H2,2-4H3
InChIKeySCLQLWOMIGFXSK-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.39
Rot. Bonds1

About 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione

6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione (PubChem CID 74051741) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione.

Molecular Properties

Compound Name6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione
PubChem CID74051741
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione
SMILESC=C(C)C1CCC23OC2C(CC(C)=C2C(=O)C=C(C)C2(O)C1)OC3=O
InChIInChI=1S/C20H24O5/c1-10(2)13-5-6-20-17(25-20)15(24-18(20)22)7-11(3)16-14(21)8-12(4)19(16,23)9-13/h8,13,15,17,23H,1,5-7,9H2,2-4H3
InChIKeySCLQLWOMIGFXSK-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione?
The IUPAC name of 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione (CID 74051741) is 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione.
What is the SMILES notation for 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione?
The canonical SMILES for 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione is C=C(C)C1CCC23OC2C(CC(C)=C2C(=O)C=C(C)C2(O)C1)OC3=O.
What is the InChIKey of 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione?
The InChIKey is SCLQLWOMIGFXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-10(2)13-5-6-20-17(25-20)15(24-18(20)22)7-11(3)16-14(21)8-12(4)19(16,23)9-13/h8,13,15,17,23H,1,5-7,9H2,2-4H3.
What are the key properties of 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione?
6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione has a molecular weight of 344.41 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17-dioxatetracyclo[11.2.2.01,14.06,10]heptadeca-7,10-diene-9,16-dione is sourced from PubChem (CID 74051741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).