2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one

C15H20O4 — CID 72770923

IUPAC2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one
SMILESCC1=CC2OC(O)C34CC(=O)CC3(C)C2(CC1)CO4
InChIInChI=1S/C15H20O4/c1-9-3-4-14-8-18-15(12(17)19-11(14)5-9)7-10(16)6-13(14,15)2/h5,11-12,17H,3-4,6-8H2,1-2H3
InChIKeyUDFBADFSSIEMAL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.57
Rot. Bonds

About 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one

2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one (PubChem CID 72770923) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one.

Molecular Properties

Compound Name2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one
PubChem CID72770923
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one
SMILESCC1=CC2OC(O)C34CC(=O)CC3(C)C2(CC1)CO4
InChIInChI=1S/C15H20O4/c1-9-3-4-14-8-18-15(12(17)19-11(14)5-9)7-10(16)6-13(14,15)2/h5,11-12,17H,3-4,6-8H2,1-2H3
InChIKeyUDFBADFSSIEMAL-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol
CID 11277116
(1R,3R,8R,12S,13R,18E,20Z,24S,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
CID 5352025
(18E,20Z)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
CID 5369716
(1R,3R,8R,12S,13R,20Z,24R,25S,26S)-12-hydroxy-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,17,22-trione
CID 171123441
(1S,2S,7S,9S,10R,12R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-ol
CID 50918830
[(1R,2R,7R,9S,12S)-1,5-dimethyl-10-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl 2,2-dichloroacetate
CID 54053295
[(1S,2R,9R,10R,11S)-10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
CID 45359154
(1R,3R,8R,12E,18E,20E,24R,25S,26S)-13-(hydroxymethyl)-5,25-dimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
CID 91809636
(1R,3R,8R,12E,18Z,20Z,24R,25S,26S)-13-(hydroxymethyl)-5,25-dimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
CID 22524987
(1R,2S,7R,9S,10S,11S,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10,11-diol
CID 92957162
[(1R,2R,7R,9R,10R,12S)-10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate
CID 11473563
(1R,3R,8R,12E,18E,20E,25R,26S)-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,12,18,20-tetraene-26,2'-oxirane]-11,17,22-trione
CID 172897935

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one?
The IUPAC name of 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one (CID 72770923) is 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one.
What is the SMILES notation for 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one?
The canonical SMILES for 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one is CC1=CC2OC(O)C34CC(=O)CC3(C)C2(CC1)CO4.
What is the InChIKey of 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one?
The InChIKey is UDFBADFSSIEMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-3-4-14-8-18-15(12(17)19-11(14)5-9)7-10(16)6-13(14,15)2/h5,11-12,17H,3-4,6-8H2,1-2H3.
What are the key properties of 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one?
2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one has a molecular weight of 264.32 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one is sourced from PubChem (CID 72770923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).