decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane

C40H42OSi — CID 67918885

IUPACdecyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane
SMILESCCCCCCCCCC[Si](Oc1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C40H42OSi/c1-2-3-4-5-6-7-8-15-31-42(39-29-17-23-33-20-10-13-26-36(33)39,40-30-18-24-34-21-11-14-27-37(34)40)41-38-28-16-22-32-19-9-12-25-35(32)38/h9-14,16-30H,2-8,15,31H2,1H3
InChIKeyQTHYBHBNFFVSPD-UHFFFAOYSA-N
MW566.86 g/mol
LogP10.43
Rot. Bonds13

About decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane

decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane (PubChem CID 67918885) has the molecular formula C40H42OSi and a molecular weight of 566.86 g/mol. Its IUPAC name is decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane.

Molecular Properties

Compound Namedecyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane
PubChem CID67918885
Molecular FormulaC40H42OSi
Molecular Weight566.86 g/mol
Exact Mass566.30
IUPAC Namedecyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane
SMILESCCCCCCCCCC[Si](Oc1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C40H42OSi/c1-2-3-4-5-6-7-8-15-31-42(39-29-17-23-33-20-10-13-26-36(33)39,40-30-18-24-34-21-11-14-27-37(34)40)41-38-28-16-22-32-19-9-12-25-35(32)38/h9-14,16-30H,2-8,15,31H2,1H3
InChIKeyQTHYBHBNFFVSPD-UHFFFAOYSA-N
XLogP10.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.86
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butoxynaphthalene
CID 13262700
heptane;phenanthrene
CID 157482146
naphthalen-1-yl pentadecane-1-sulfonate
CID 87678108
1-decoxyphenanthrene
CID 140993229
1-butoxynaphthalene;pentane-1,5-diol
CID 67747662
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
calcium;hydride;naphthalen-1-yl dodecane-1-sulfonate
CID 174591731
naphthalen-1-yl pentane-1-sulfonate;neodymium
CID 174595330
diethyl-(4-methylpentoxy)-naphthalen-1-yloxysilane
CID 91742929
1-[ethoxy(octadecyl)phosphoryl]oxynaphthalene
CID 174802997
3-methylbuta-1,2-diene;1-pentoxynaphthalene
CID 174706158
naphthalen-1-yl pentyl carbonate
CID 175011067

Frequently Asked Questions

What is the IUPAC name of decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane?
The IUPAC name of decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane (CID 67918885) is decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane.
What is the SMILES notation for decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane?
The canonical SMILES for decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane is CCCCCCCCCC[Si](Oc1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane?
The InChIKey is QTHYBHBNFFVSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42OSi/c1-2-3-4-5-6-7-8-15-31-42(39-29-17-23-33-20-10-13-26-36(33)39,40-30-18-24-34-21-11-14-27-37(34)40)41-38-28-16-22-32-19-9-12-25-35(32)38/h9-14,16-30H,2-8,15,31H2,1H3.
What are the key properties of decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane?
decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane has a molecular weight of 566.86 g/mol, XLogP of 10.43, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-dinaphthalen-1-yl-naphthalen-1-yloxysilane is sourced from PubChem (CID 67918885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).