(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol

C20H30O2 — CID 166626315

IUPAC(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol
SMILESC=C[C@@]1(C)CC[C@@]2(C)[C@@H](C[C@@H]3[C@@H](O)C4=C[C@@H](O)C[C@H]2[C@@]43C)C1
InChIInChI=1S/C20H30O2/c1-5-18(2)6-7-19(3)12(11-18)8-14-17(22)15-9-13(21)10-16(19)20(14,15)4/h5,9,12-14,16-17,21-22H,1,6-8,10-11H2,2-4H3/t12-,13+,14+,16+,17+,18-,19-,20+/m0/s1
InChIKeyRGXAUBKBQYZZFG-XSUQBFJVSA-N
MW302.46 g/mol
LogP3.69
Rot. Bonds1

About (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol

(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol (PubChem CID 166626315) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol.

Molecular Properties

Compound Name(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol
PubChem CID166626315
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol
SMILESC=C[C@@]1(C)CC[C@@]2(C)[C@@H](C[C@@H]3[C@@H](O)C4=C[C@@H](O)C[C@H]2[C@@]43C)C1
InChIInChI=1S/C20H30O2/c1-5-18(2)6-7-19(3)12(11-18)8-14-17(22)15-9-13(21)10-16(19)20(14,15)4/h5,9,12-14,16-17,21-22H,1,6-8,10-11H2,2-4H3/t12-,13+,14+,16+,17+,18-,19-,20+/m0/s1
InChIKeyRGXAUBKBQYZZFG-XSUQBFJVSA-N
XLogP3.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol?
The IUPAC name of (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol (CID 166626315) is (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol.
What is the SMILES notation for (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol?
The canonical SMILES for (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol is C=C[C@@]1(C)CC[C@@]2(C)[C@@H](C[C@@H]3[C@@H](O)C4=C[C@@H](O)C[C@H]2[C@@]43C)C1.
What is the InChIKey of (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol?
The InChIKey is RGXAUBKBQYZZFG-XSUQBFJVSA-N. The full InChI is InChI=1S/C20H30O2/c1-5-18(2)6-7-19(3)12(11-18)8-14-17(22)15-9-13(21)10-16(19)20(14,15)4/h5,9,12-14,16-17,21-22H,1,6-8,10-11H2,2-4H3/t12-,13+,14+,16+,17+,18-,19-,20+/m0/s1.
What are the key properties of (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol?
(1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol has a molecular weight of 302.46 g/mol, XLogP of 3.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,7S,9S,10R,13S,15R)-5-ethenyl-2,5,15-trimethyltetracyclo[7.5.1.02,7.011,15]pentadec-11-ene-10,13-diol is sourced from PubChem (CID 166626315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).