7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol

C15H24O3 — CID 75051998

IUPAC7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol
SMILESCC1=CC2OCC3(O)CC(O)CC3(C)C2(C)CC1
InChIInChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-9-15(17)8-11(16)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3
InChIKeyQRDSKOBGOKEIEV-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.02
Rot. Bonds

About 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol

7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol (PubChem CID 75051998) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol.

Molecular Properties

Compound Name7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol
PubChem CID75051998
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol
SMILESCC1=CC2OCC3(O)CC(O)CC3(C)C2(C)CC1
InChIInChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-9-15(17)8-11(16)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3
InChIKeyQRDSKOBGOKEIEV-UHFFFAOYSA-N
XLogP2.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
4a-(hydroxymethyl)-7-methyl-2,3,4,5,6,8a-hexahydrochromen-3-ol
CID 130142468
(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
2-hydroxy-6,10-dimethyl-3,14-dioxatetracyclo[7.4.2.01,10.04,9]pentadec-5-en-12-one
CID 72770923
(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,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
(1S,3S,4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalene-1,3-diol
CID 132579821
(3R,3aS,8R,8aS)-6,8a-dimethyl-3-propan-2-yl-1,2,3,4,5,8-hexahydroazulene-3a,8-diol
CID 11020970
(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
(3aR,6R,7E,10S,11R,14E,15aS)-6,10,14-trimethyl-3-methylidene-5,9,11,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-3a,6,10,11-tetrol
CID 72945528

Frequently Asked Questions

What is the IUPAC name of 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol?
The IUPAC name of 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol (CID 75051998) is 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol.
What is the SMILES notation for 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol?
The canonical SMILES for 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol is CC1=CC2OCC3(O)CC(O)CC3(C)C2(C)CC1.
What is the InChIKey of 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol?
The InChIKey is QRDSKOBGOKEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-9-15(17)8-11(16)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3.
What are the key properties of 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol?
7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol has a molecular weight of 252.35 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9a,9b-trimethyl-2,3,4,5a,8,9-hexahydro-1H-cyclopenta[c]chromene-2,3a-diol is sourced from PubChem (CID 75051998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).