(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione

C26H42O3Si — CID 140733783

IUPAC(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione
SMILESCC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]2C1=O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C26H42O3Si/c1-14-11-18-21(27)15(2)13-26(18)16(3)12-17-20(25(17,7)8)19(23(26)28)22(14)29-30(9,10)24(4,5)6/h13-14,16-20,22H,11-12H2,1-10H3/t14-,16-,17-,18-,19-,20-,22-,26-/m1/s1
InChIKeyDLJRTLFVEIDIPQ-WXBFUBNTSA-N
MW430.71 g/mol
LogP6.05
Rot. Bonds2

About (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione

(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione (PubChem CID 140733783) has the molecular formula C26H42O3Si and a molecular weight of 430.71 g/mol. Its IUPAC name is (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione.

Molecular Properties

Compound Name(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione
PubChem CID140733783
Molecular FormulaC26H42O3Si
Molecular Weight430.71 g/mol
Exact Mass430.29
IUPAC Name(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione
SMILESCC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]2C1=O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
InChIInChI=1S/C26H42O3Si/c1-14-11-18-21(27)15(2)13-26(18)16(3)12-17-20(25(17,7)8)19(23(26)28)22(14)29-30(9,10)24(4,5)6/h13-14,16-20,22H,11-12H2,1-10H3/t14-,16-,17-,18-,19-,20-,22-,26-/m1/s1
InChIKeyDLJRTLFVEIDIPQ-WXBFUBNTSA-N
XLogP6.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.71
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione?
The IUPAC name of (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione (CID 140733783) is (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione.
What is the SMILES notation for (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione?
The canonical SMILES for (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione is CC1=C[C@]23C(=O)[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C[C@@H]2C1=O)[C@H]1[C@@H](C[C@H]3C)C1(C)C.
What is the InChIKey of (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione?
The InChIKey is DLJRTLFVEIDIPQ-WXBFUBNTSA-N. The full InChI is InChI=1S/C26H42O3Si/c1-14-11-18-21(27)15(2)13-26(18)16(3)12-17-20(25(17,7)8)19(23(26)28)22(14)29-30(9,10)24(4,5)6/h13-14,16-20,22H,11-12H2,1-10H3/t14-,16-,17-,18-,19-,20-,22-,26-/m1/s1.
What are the key properties of (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione?
(1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione has a molecular weight of 430.71 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,7R,8R,9R,10R,12R,14R)-8-[tert-butyl(dimethyl)silyl]oxy-3,7,11,11,14-pentamethyltetracyclo[7.5.1.01,5.010,12]pentadec-2-ene-4,15-dione is sourced from PubChem (CID 140733783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).