12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane

C53H86O3Si — CID 175433867

IUPAC12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1CCCC2CC3CC4CC5CC6CC7CC8CC9CC%10CC%11CC%12CCCCC%12CC%11CC%10CC9CC8CC7CC6CC5CC4CC3CC21
InChIInChI=1S/C53H86O3Si/c1-54-57(55-2,56-3)53-10-6-9-33-13-36-16-39-19-42-22-45-25-46-23-43-20-40-17-37-14-34-11-31-7-4-5-8-32(31)12-35(34)15-38(37)18-41(40)21-44(43)24-47(46)26-48(45)27-49(42)28-50(39)29-51(36)30-52(33)53/h31-53H,4-30H2,1-3H3
InChIKeyYLWGTVMIVCBMDW-UHFFFAOYSA-N
MW799.35 g/mol
LogP13.49
Rot. Bonds4

About 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane

12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane (PubChem CID 175433867) has the molecular formula C53H86O3Si and a molecular weight of 799.35 g/mol. Its IUPAC name is 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane.

Molecular Properties

Compound Name12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane
PubChem CID175433867
Molecular FormulaC53H86O3Si
Molecular Weight799.35 g/mol
Exact Mass798.63
IUPAC Name12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane
SMILESCO[Si](OC)(OC)C1CCCC2CC3CC4CC5CC6CC7CC8CC9CC%10CC%11CC%12CCCCC%12CC%11CC%10CC9CC8CC7CC6CC5CC4CC3CC21
InChIInChI=1S/C53H86O3Si/c1-54-57(55-2,56-3)53-10-6-9-33-13-36-16-39-19-42-22-45-25-46-23-43-20-40-17-37-14-34-11-31-7-4-5-8-32(31)12-35(34)15-38(37)18-41(40)21-44(43)24-47(46)26-48(45)27-49(42)28-50(39)29-51(36)30-52(33)53/h31-53H,4-30H2,1-3H3
InChIKeyYLWGTVMIVCBMDW-UHFFFAOYSA-N
XLogP13.49
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.35
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane with MolForge

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Related Compounds

8-bicyclo[5.2.0]nonanyl(trimethoxy)silane
CID 22623687
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
N-[2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl(dimethyl)silyl]-N-tert-butyl-2-methylpropan-2-amine
CID 162279509
bis(2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalen-3-yl)-dimethylsilane;carbanide;dichlorozirconium(2+)
CID 162297844
2-methyl-1,2,3,3a,4,4a,4b,5,6,7,8,8a,9,9a,10,10a-hexadecahydrocyclopenta[b]fluorene
CID 123788030
(1R,2R,4S,8S)-tricyclo[6.1.0.02,4]nonane
CID 10964484
(1R,6S)-bicyclo[4.1.0]heptane
CID 638054
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
3-ethyltricyclo[4.3.1.12,5]undecane
CID 163995336
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386

Frequently Asked Questions

What is the IUPAC name of 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane?
The IUPAC name of 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane (CID 175433867) is 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane.
What is the SMILES notation for 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane?
The canonical SMILES for 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane is CO[Si](OC)(OC)C1CCCC2CC3CC4CC5CC6CC7CC8CC9CC%10CC%11CC%12CCCCC%12CC%11CC%10CC9CC8CC7CC6CC5CC4CC3CC21.
What is the InChIKey of 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane?
The InChIKey is YLWGTVMIVCBMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H86O3Si/c1-54-57(55-2,56-3)53-10-6-9-33-13-36-16-39-19-42-22-45-25-46-23-43-20-40-17-37-14-34-11-31-7-4-5-8-32(31)12-35(34)15-38(37)18-41(40)21-44(43)24-47(46)26-48(45)27-49(42)28-50(39)29-51(36)30-52(33)53/h31-53H,4-30H2,1-3H3.
What are the key properties of 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane?
12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane has a molecular weight of 799.35 g/mol, XLogP of 13.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentacontanyl(trimethoxy)silane is sourced from PubChem (CID 175433867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).