tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate

C44H68O4Si — CID 56841189

IUPACtetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate
SMILESC1CC2C3CC(CO[Si](OCC4CC5CC4C4CCCC54)(OCC4CC5CC4C4CCCC54)OCC4CC5CC4C4CCCC54)C(C3)C2C1
InChIInChI=1S/C44H68O4Si/c1-5-33-25-13-29(41(17-25)37(33)9-1)21-45-49(46-22-30-14-26-18-42(30)38-10-2-6-34(26)38,47-23-31-15-27-19-43(31)39-11-3-7-35(27)39)48-24-32-16-28-20-44(32)40-12-4-8-36(28)40/h25-44H,1-24H2
InChIKeyBOAGMIXXWHDYOF-UHFFFAOYSA-N
MW689.11 g/mol
LogP9.78
Rot. Bonds12

About tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate

tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate (PubChem CID 56841189) has the molecular formula C44H68O4Si and a molecular weight of 689.11 g/mol. Its IUPAC name is tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate.

Molecular Properties

Compound Nametetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate
PubChem CID56841189
Molecular FormulaC44H68O4Si
Molecular Weight689.11 g/mol
Exact Mass688.49
IUPAC Nametetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate
SMILESC1CC2C3CC(CO[Si](OCC4CC5CC4C4CCCC54)(OCC4CC5CC4C4CCCC54)OCC4CC5CC4C4CCCC54)C(C3)C2C1
InChIInChI=1S/C44H68O4Si/c1-5-33-25-13-29(41(17-25)37(33)9-1)21-45-49(46-22-30-14-26-18-42(30)38-10-2-6-34(26)38,47-23-31-15-27-19-43(31)39-11-3-7-35(27)39)48-24-32-16-28-20-44(32)40-12-4-8-36(28)40/h25-44H,1-24H2
InChIKeyBOAGMIXXWHDYOF-UHFFFAOYSA-N
XLogP9.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.11
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(8R)-8-tricyclo[5.2.1.02,6]decanyl]methanol
CID 177289289
(1S,2R,6R,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 11378594
(1S,7S)-tricyclo[5.2.1.02,6]decan-8-amine
CID 166642246
8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102184546
CID 171375674
CID 171375674
1-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethyl 2-hydroxypropanoate
CID 58944311
potassium 2-(8-tricyclo[5.2.1.02,6]decanyl)ethanedithioate
CID 23706255
8-hexyltricyclo[5.2.1.02,6]decane
CID 18442200
8-(2,2-dimethylbutyl)tricyclo[5.2.1.02,6]decane
CID 20743981
1,1-difluoro-4-(8-tricyclo[5.2.1.02,6]decanylmethoxy)butane-1-sulfonic acid
CID 90746561
2-[2-hydroxyethyl(8-tricyclo[5.2.1.02,6]decanylmethyl)amino]ethanol
CID 58779502
(1R,2S,6S,7S,8S)-N-(cyclopropylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 98119188

Frequently Asked Questions

What is the IUPAC name of tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate?
The IUPAC name of tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate (CID 56841189) is tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate.
What is the SMILES notation for tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate?
The canonical SMILES for tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate is C1CC2C3CC(CO[Si](OCC4CC5CC4C4CCCC54)(OCC4CC5CC4C4CCCC54)OCC4CC5CC4C4CCCC54)C(C3)C2C1.
What is the InChIKey of tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate?
The InChIKey is BOAGMIXXWHDYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H68O4Si/c1-5-33-25-13-29(41(17-25)37(33)9-1)21-45-49(46-22-30-14-26-18-42(30)38-10-2-6-34(26)38,47-23-31-15-27-19-43(31)39-11-3-7-35(27)39)48-24-32-16-28-20-44(32)40-12-4-8-36(28)40/h25-44H,1-24H2.
What are the key properties of tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate?
tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate has a molecular weight of 689.11 g/mol, XLogP of 9.78, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(8-tricyclo[5.2.1.02,6]decanylmethyl) silicate is sourced from PubChem (CID 56841189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).