phenanthrene;1,1,2-triethoxy-2-ethylsilinane

C27H38O3Si — CID 174932363

IUPACphenanthrene;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C13H28O3Si/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h1-10H;5-12H2,1-4H3
InChIKeyAEGRZPCWSHOORT-UHFFFAOYSA-N
MW438.68 g/mol
LogP7.40
Rot. Bonds7

About phenanthrene;1,1,2-triethoxy-2-ethylsilinane

phenanthrene;1,1,2-triethoxy-2-ethylsilinane (PubChem CID 174932363) has the molecular formula C27H38O3Si and a molecular weight of 438.68 g/mol. Its IUPAC name is phenanthrene;1,1,2-triethoxy-2-ethylsilinane.

Molecular Properties

Compound Namephenanthrene;1,1,2-triethoxy-2-ethylsilinane
PubChem CID174932363
Molecular FormulaC27H38O3Si
Molecular Weight438.68 g/mol
Exact Mass438.26
IUPAC Namephenanthrene;1,1,2-triethoxy-2-ethylsilinane
SMILESCCOC1(CC)CCCC[Si]1(OCC)OCC.c1ccc2c(c1)ccc1ccccc12
InChIInChI=1S/C14H10.C13H28O3Si/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h1-10H;5-12H2,1-4H3
InChIKeyAEGRZPCWSHOORT-UHFFFAOYSA-N
XLogP7.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.68
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze phenanthrene;1,1,2-triethoxy-2-ethylsilinane 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

toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
4-chlorophenol;1,1,2-triethoxy-2-ethylsilinane
CID 174609070
propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
2-decyl-1,1,2-triethoxysilinane;1-fluoro-1,2,3,4-tetrahydrochrysene
CID 174391198
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
(1,1,2-triethoxysilinan-2-yl)methyl acetate
CID 174525349
1,1,2,2-tetraethoxysilinane
CID 174248265
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240

Frequently Asked Questions

What is the IUPAC name of phenanthrene;1,1,2-triethoxy-2-ethylsilinane?
The IUPAC name of phenanthrene;1,1,2-triethoxy-2-ethylsilinane (CID 174932363) is phenanthrene;1,1,2-triethoxy-2-ethylsilinane.
What is the SMILES notation for phenanthrene;1,1,2-triethoxy-2-ethylsilinane?
The canonical SMILES for phenanthrene;1,1,2-triethoxy-2-ethylsilinane is CCOC1(CC)CCCC[Si]1(OCC)OCC.c1ccc2c(c1)ccc1ccccc12.
What is the InChIKey of phenanthrene;1,1,2-triethoxy-2-ethylsilinane?
The InChIKey is AEGRZPCWSHOORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C13H28O3Si/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13;1-5-13(14-6-2)11-9-10-12-17(13,15-7-3)16-8-4/h1-10H;5-12H2,1-4H3.
What are the key properties of phenanthrene;1,1,2-triethoxy-2-ethylsilinane?
phenanthrene;1,1,2-triethoxy-2-ethylsilinane has a molecular weight of 438.68 g/mol, XLogP of 7.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene;1,1,2-triethoxy-2-ethylsilinane is sourced from PubChem (CID 174932363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).