decyl(triethoxy)silane;1,2-dihydrochrysene

C34H50O3Si — CID 174887506

IUPACdecyl(triethoxy)silane;1,2-dihydrochrysene
SMILESC1=Cc2c(ccc3c2ccc2ccccc23)CC1.CCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H14.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/h1,3-5,7-12H,2,6H2;5-16H2,1-4H3
InChIKeyBBJOCPLDCFCJBZ-UHFFFAOYSA-N
MW534.86 g/mol
LogP10.13
Rot. Bonds15

About decyl(triethoxy)silane;1,2-dihydrochrysene

decyl(triethoxy)silane;1,2-dihydrochrysene (PubChem CID 174887506) has the molecular formula C34H50O3Si and a molecular weight of 534.86 g/mol. Its IUPAC name is decyl(triethoxy)silane;1,2-dihydrochrysene.

Molecular Properties

Compound Namedecyl(triethoxy)silane;1,2-dihydrochrysene
PubChem CID174887506
Molecular FormulaC34H50O3Si
Molecular Weight534.86 g/mol
Exact Mass534.35
IUPAC Namedecyl(triethoxy)silane;1,2-dihydrochrysene
SMILESC1=Cc2c(ccc3c2ccc2ccccc23)CC1.CCCCCCCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C18H14.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/h1,3-5,7-12H,2,6H2;5-16H2,1-4H3
InChIKeyBBJOCPLDCFCJBZ-UHFFFAOYSA-N
XLogP10.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.86
LogP ≤ 510.13
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'}

Analyze decyl(triethoxy)silane;1,2-dihydrochrysene 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

decyl(triethoxy)silane;1,2,3,4-tetrahydrochrysene
CID 174495782
1,2-dihydrophenanthrene;methane
CID 142233557
CID 175958969
CID 175958969
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002
heptane;phenanthrene
CID 157482146
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
6-methyl-1,2-dihydrochrysene
CID 143566629
methane;1,2,3,4-tetrahydrochrysene;trichloro(decyl)silane;hydrofluoride
CID 174502115
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398

Frequently Asked Questions

What is the IUPAC name of decyl(triethoxy)silane;1,2-dihydrochrysene?
The IUPAC name of decyl(triethoxy)silane;1,2-dihydrochrysene (CID 174887506) is decyl(triethoxy)silane;1,2-dihydrochrysene.
What is the SMILES notation for decyl(triethoxy)silane;1,2-dihydrochrysene?
The canonical SMILES for decyl(triethoxy)silane;1,2-dihydrochrysene is C1=Cc2c(ccc3c2ccc2ccccc23)CC1.CCCCCCCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of decyl(triethoxy)silane;1,2-dihydrochrysene?
The InChIKey is BBJOCPLDCFCJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14.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/h1,3-5,7-12H,2,6H2;5-16H2,1-4H3.
What are the key properties of decyl(triethoxy)silane;1,2-dihydrochrysene?
decyl(triethoxy)silane;1,2-dihydrochrysene has a molecular weight of 534.86 g/mol, XLogP of 10.13, 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-dihydrochrysene is sourced from PubChem (CID 174887506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).