(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol

C23H34O5 — CID 143448373

IUPAC(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)(CC4[C@@H]5CO[C@@H]5CC[C@@]4(C)[C@@H]2O1)C3(C)C
InChIInChI=1S/C23H34O5/c1-6-17-27-19-18-12(2)15(24)10-23(25,21(18,3)4)9-14-13-11-26-16(13)7-8-22(14,5)20(19)28-17/h6,13-17,19-20,24-25H,1,7-11H2,2-5H3/t13-,14?,15-,16+,17+,19+,20+,22+,23-/m0/s1
InChIKeyYLUIVAFIPGQEMS-XLMAUSBQSA-N
MW390.52 g/mol
LogP2.96
Rot. Bonds1

About (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol

(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol (PubChem CID 143448373) has the molecular formula C23H34O5 and a molecular weight of 390.52 g/mol. Its IUPAC name is (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol.

Molecular Properties

Compound Name(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol
PubChem CID143448373
Molecular FormulaC23H34O5
Molecular Weight390.52 g/mol
Exact Mass390.24
IUPAC Name(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol
SMILESC=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)(CC4[C@@H]5CO[C@@H]5CC[C@@]4(C)[C@@H]2O1)C3(C)C
InChIInChI=1S/C23H34O5/c1-6-17-27-19-18-12(2)15(24)10-23(25,21(18,3)4)9-14-13-11-26-16(13)7-8-22(14,5)20(19)28-17/h6,13-17,19-20,24-25H,1,7-11H2,2-5H3/t13-,14?,15-,16+,17+,19+,20+,22+,23-/m0/s1
InChIKeyYLUIVAFIPGQEMS-XLMAUSBQSA-N
XLogP2.96
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol?
The IUPAC name of (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol (CID 143448373) is (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol.
What is the SMILES notation for (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol?
The canonical SMILES for (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol is C=C[C@@H]1O[C@@H]2C3=C(C)[C@@H](O)C[C@@](O)(CC4[C@@H]5CO[C@@H]5CC[C@@]4(C)[C@@H]2O1)C3(C)C.
What is the InChIKey of (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol?
The InChIKey is YLUIVAFIPGQEMS-XLMAUSBQSA-N. The full InChI is InChI=1S/C23H34O5/c1-6-17-27-19-18-12(2)15(24)10-23(25,21(18,3)4)9-14-13-11-26-16(13)7-8-22(14,5)20(19)28-17/h6,13-17,19-20,24-25H,1,7-11H2,2-5H3/t13-,14?,15-,16+,17+,19+,20+,22+,23-/m0/s1.
What are the key properties of (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol?
(2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol has a molecular weight of 390.52 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6S,7R,10R,13R,16S,18S)-4-ethenyl-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-ene-16,18-diol is sourced from PubChem (CID 143448373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).