decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene

C34H52O3Si — CID 174495782

IUPACdecyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
SMILESCCCCCCCCCC[Si](OCC)(OCC)OCC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C16H36O3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h1,3,5,7,9-12H,2,4,6,8H2;5-16H2,1-4H3
InChIKeyKCMBIQYDDXRMCO-UHFFFAOYSA-N
MW536.87 g/mol
LogP10.05
Rot. Bonds15

About decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene

decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene (PubChem CID 174495782) has the molecular formula C34H52O3Si and a molecular weight of 536.87 g/mol. Its IUPAC name is decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Namedecyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
PubChem CID174495782
Molecular FormulaC34H52O3Si
Molecular Weight536.87 g/mol
Exact Mass536.37
IUPAC Namedecyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
SMILESCCCCCCCCCC[Si](OCC)(OCC)OCC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3
InChIInChI=1S/C18H16.C16H36O3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h1,3,5,7,9-12H,2,4,6,8H2;5-16H2,1-4H3
InChIKeyKCMBIQYDDXRMCO-UHFFFAOYSA-N
XLogP10.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.87
LogP ≤ 510.05
H-Bond Donors ≤ 50
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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
CID 174502115
CID 174744465
CID 174744465
CID 174564853
CID 174564853
decyl(triethoxy)silane;1,2-dihydrochrysene
CID 174887506
methane;1,2,3,4-tetrahydrochrysene
CID 174298676
benzene;1,2,3,4-tetrahydrochrysene
CID 174248896
palladium;1,2,3,4-tetrahydrochrysene
CID 174462913
CID 174884926
CID 174884926
benzene;methane;1,2,3,4-tetrahydrochrysene
CID 174815578
anthracene;dioctyl benzene-1,2-dicarboxylate;1,2,3,4-tetrahydrochrysene
CID 174825649
1-hydroxypentan-2-one;1,2,3,4-tetrahydrochrysene
CID 174551823
1,2-dimethylnaphthalene;1,2,3,4-tetrahydrochrysene
CID 175241549

Frequently Asked Questions

What is the IUPAC name of decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene?
The IUPAC name of decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene (CID 174495782) is decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene?
The canonical SMILES for decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene is CCCCCCCCCC[Si](OCC)(OCC)OCC.c1ccc2c(c1)ccc1c3c(ccc12)CCCC3.
What is the InChIKey of decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene?
The InChIKey is KCMBIQYDDXRMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16.C16H36O3Si/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18;1-5-9-10-11-12-13-14-15-16-20(17-6-2,18-7-3)19-8-4/h1,3,5,7,9-12H,2,4,6,8H2;5-16H2,1-4H3.
What are the key properties of decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene?
decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene has a molecular weight of 536.87 g/mol, XLogP of 10.05, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174495782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).