(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol

C18H18O2 — CID 125495959

IUPAC(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
SMILESCC12c3ccccc3C(C)(c3ccccc31)[C@@H](O)[C@H]2O
InChIInChI=1S/C18H18O2/c1-17-11-7-3-5-9-13(11)18(2,16(20)15(17)19)14-10-6-4-8-12(14)17/h3-10,15-16,19-20H,1-2H3/t15-,16+,17?,18?
InChIKeyBYJVVGWIHXDMTB-OQSMONGASA-N
MW266.34 g/mol
LogP2.35
Rot. Bonds

About (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol

(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol (PubChem CID 125495959) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol.

Molecular Properties

Compound Name(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
PubChem CID125495959
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol
SMILESCC12c3ccccc3C(C)(c3ccccc31)[C@@H](O)[C@H]2O
InChIInChI=1S/C18H18O2/c1-17-11-7-3-5-9-13(11)18(2,16(20)15(17)19)14-10-6-4-8-12(14)17/h3-10,15-16,19-20H,1-2H3/t15-,16+,17?,18?
InChIKeyBYJVVGWIHXDMTB-OQSMONGASA-N
XLogP2.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol with MolForge

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Related Compounds

15-N,15-N,16-N,16-N,1,8-hexamethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-dicarboxamide
CID 71671613
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22-methylhexacyclo[13.6.1.02,7.08,22.09,14.016,21]docosa-2,4,6,9,11,13,16,18,20-nonaene-1,8,15-triol
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1,1,3,3-tetramethyl-2H-indene-2-carbonyl chloride
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3,3-dimethyl-2,7b-dihydro-1aH-naphtho[1,2-b]oxiren-2-ol
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2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol
CID 71386671
CID 3697243
CID 3697243
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Frequently Asked Questions

What is the IUPAC name of (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol?
The IUPAC name of (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol (CID 125495959) is (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol.
What is the SMILES notation for (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol?
The canonical SMILES for (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol is CC12c3ccccc3C(C)(c3ccccc31)[C@@H](O)[C@H]2O.
What is the InChIKey of (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol?
The InChIKey is BYJVVGWIHXDMTB-OQSMONGASA-N. The full InChI is InChI=1S/C18H18O2/c1-17-11-7-3-5-9-13(11)18(2,16(20)15(17)19)14-10-6-4-8-12(14)17/h3-10,15-16,19-20H,1-2H3/t15-,16+,17?,18?.
What are the key properties of (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol?
(15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol has a molecular weight of 266.34 g/mol, XLogP of 2.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16R)-1,8-dimethyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,16-diol is sourced from PubChem (CID 125495959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).