(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol

C24H40O4Si — CID 10598246

IUPAC(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol
SMILESCC1=CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]34CCCCC3=C[C@](O)(O4)[C@]1(O)C2(C)C
InChIInChI=1S/C24H40O4Si/c1-16-12-13-18-19(27-29(7,8)20(2,3)4)22-14-10-9-11-17(22)15-23(25,28-22)24(16,26)21(18,5)6/h12,15,18-19,25-26H,9-11,13-14H2,1-8H3/t18-,19+,22+,23-,24+/m0/s1
InChIKeySQDXOATXBODJFD-QENKCHOGSA-N
MW420.67 g/mol
LogP5.07
Rot. Bonds2

About (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol

(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol (PubChem CID 10598246) has the molecular formula C24H40O4Si and a molecular weight of 420.67 g/mol. Its IUPAC name is (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol.

Molecular Properties

Compound Name(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol
PubChem CID10598246
Molecular FormulaC24H40O4Si
Molecular Weight420.67 g/mol
Exact Mass420.27
IUPAC Name(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol
SMILESCC1=CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]34CCCCC3=C[C@](O)(O4)[C@]1(O)C2(C)C
InChIInChI=1S/C24H40O4Si/c1-16-12-13-18-19(27-29(7,8)20(2,3)4)22-14-10-9-11-17(22)15-23(25,28-22)24(16,26)21(18,5)6/h12,15,18-19,25-26H,9-11,13-14H2,1-8H3/t18-,19+,22+,23-,24+/m0/s1
InChIKeySQDXOATXBODJFD-QENKCHOGSA-N
XLogP5.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.67
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol?
The IUPAC name of (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol (CID 10598246) is (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol.
What is the SMILES notation for (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol?
The canonical SMILES for (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol is CC1=CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)[C@@]34CCCCC3=C[C@](O)(O4)[C@]1(O)C2(C)C.
What is the InChIKey of (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol?
The InChIKey is SQDXOATXBODJFD-QENKCHOGSA-N. The full InChI is InChI=1S/C24H40O4Si/c1-16-12-13-18-19(27-29(7,8)20(2,3)4)22-14-10-9-11-17(22)15-23(25,28-22)24(16,26)21(18,5)6/h12,15,18-19,25-26H,9-11,13-14H2,1-8H3/t18-,19+,22+,23-,24+/m0/s1.
What are the key properties of (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol?
(1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol has a molecular weight of 420.67 g/mol, XLogP of 5.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,7R,8S)-2-[tert-butyl(dimethyl)silyl]oxy-6,16,16-trimethyl-15-oxatetracyclo[6.6.1.13,7.01,10]hexadeca-5,9-diene-7,8-diol is sourced from PubChem (CID 10598246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).