(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol

C15H22O4 — CID 11277116

IUPAC(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol
SMILESCC1=C[C@@H]2OC[C@]3(O)C[C@@]4(O)C[C@]3(C)[C@]2(CC1)CO4
InChIInChI=1S/C15H22O4/c1-10-3-4-13-8-19-15(17)6-12(13,2)14(16,7-15)9-18-11(13)5-10/h5,11,16-17H,3-4,6-9H2,1-2H3/t11-,12+,13+,14+,15+/m0/s1
InChIKeySJLDRXNKLNZPDF-NJVJYBDUSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds

About (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol

(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol (PubChem CID 11277116) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol.

Molecular Properties

Compound Name(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol
PubChem CID11277116
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol
SMILESCC1=C[C@@H]2OC[C@]3(O)C[C@@]4(O)C[C@]3(C)[C@]2(CC1)CO4
InChIInChI=1S/C15H22O4/c1-10-3-4-13-8-19-15(17)6-12(13,2)14(16,7-15)9-18-11(13)5-10/h5,11,16-17H,3-4,6-9H2,1-2H3/t11-,12+,13+,14+,15+/m0/s1
InChIKeySJLDRXNKLNZPDF-NJVJYBDUSA-N
XLogP1.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol 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

7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol
CID 75051998
2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one
CID 72770923
(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,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
(1S,6S,8R,15R)-3,8,12-trimethyl-16-methylidene-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11-dien-15-ol
CID 162869434
[(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
4a-(hydroxymethyl)-7-methyl-2,3,4,5,6,8a-hexahydrochromen-3-ol
CID 130142468
(1R,2S,7S,9S,11R)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
CID 50918787
(1S,2R,7S,9S,11R,12S)-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
CID 98460975
(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
CID 171369791
CID 171369791

Frequently Asked Questions

What is the IUPAC name of (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol?
The IUPAC name of (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) is (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol.
What is the SMILES notation for (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol?
The canonical SMILES for (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol is CC1=C[C@@H]2OC[C@]3(O)C[C@@]4(O)C[C@]3(C)[C@]2(CC1)CO4.
What is the InChIKey of (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol?
The InChIKey is SJLDRXNKLNZPDF-NJVJYBDUSA-N. The full InChI is InChI=1S/C15H22O4/c1-10-3-4-13-8-19-15(17)6-12(13,2)14(16,7-15)9-18-11(13)5-10/h5,11,16-17H,3-4,6-9H2,1-2H3/t11-,12+,13+,14+,15+/m0/s1.
What are the key properties of (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol?
(1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol has a molecular weight of 266.34 g/mol, XLogP of 1.36, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,9S,12S,13R)-7,13-dimethyl-2,10-dioxatetracyclo[10.2.1.04,9.04,13]pentadec-7-ene-1,12-diol is sourced from PubChem (CID 11277116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).