(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol

C24H44O3Si — CID 10949599

IUPAC(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC[C@]1(O)C[C@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C24H44O3Si/c1-23(2,3)28(4,5)27-15-11-9-7-6-8-10-14-24(26)17-20(25)21-18-12-13-19(16-18)22(21)24/h12-13,18-22,25-26H,6-11,14-17H2,1-5H3/t18-,19+,20-,21+,22+,24-/m0/s1
InChIKeyBSSUZWHULMFBKV-QRKRNDJXSA-N
MW408.70 g/mol
LogP5.67
Rot. Bonds10

About (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol

(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol (PubChem CID 10949599) has the molecular formula C24H44O3Si and a molecular weight of 408.70 g/mol. Its IUPAC name is (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol.

Molecular Properties

Compound Name(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
PubChem CID10949599
Molecular FormulaC24H44O3Si
Molecular Weight408.70 g/mol
Exact Mass408.31
IUPAC Name(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCC[C@]1(O)C[C@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C24H44O3Si/c1-23(2,3)28(4,5)27-15-11-9-7-6-8-10-14-24(26)17-20(25)21-18-12-13-19(16-18)22(21)24/h12-13,18-22,25-26H,6-11,14-17H2,1-5H3/t18-,19+,20-,21+,22+,24-/m0/s1
InChIKeyBSSUZWHULMFBKV-QRKRNDJXSA-N
XLogP5.67
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

Tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol
CID 85299267
(1S,2R,3R,3aS,6R,7S,7aR)-3-[tert-butyl(dimethyl)silyl]oxy-6-[3-[tert-butyl(dimethyl)silyl]oxybutyl]-7-ethenyl-2-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-1-ol
CID 101362169
(1S,2R,3R,5S,6R,7S,8R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-en-6-ol
CID 10927646
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850301
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850303
(3aS,4S,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 22850336
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 57002540
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-3-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 57127099
(3aS,4S,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[4-[butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 57138633
5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-methyloct-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 67859346
(3aS,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-6-methylhept-1-enyl]-2-methylidene-3,3a,4,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 70438719
4,10,11,11-Tetramethyl-2-triethylsilyloxytricyclo[5.3.1.01,5]undec-9-en-5-ol
CID 70986543

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The IUPAC name of (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol (CID 10949599) is (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol.
What is the SMILES notation for (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The canonical SMILES for (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol is CC(C)(C)[Si](C)(C)OCCCCCCCC[C@]1(O)C[C@H](O)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
The InChIKey is BSSUZWHULMFBKV-QRKRNDJXSA-N. The full InChI is InChI=1S/C24H44O3Si/c1-23(2,3)28(4,5)27-15-11-9-7-6-8-10-14-24(26)17-20(25)21-18-12-13-19(16-18)22(21)24/h12-13,18-22,25-26H,6-11,14-17H2,1-5H3/t18-,19+,20-,21+,22+,24-/m0/s1.
What are the key properties of (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol?
(1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol has a molecular weight of 408.70 g/mol, XLogP of 5.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S,6S,7R)-3-[8-[tert-butyl(dimethyl)silyl]oxyoctyl]tricyclo[5.2.1.02,6]dec-8-ene-3,5-diol is sourced from PubChem (CID 10949599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).