lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide

C14H25LiO2Si3 — CID 177424968

IUPAClithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide
SMILESC[Si](C)(C)[Si-](C(=O)OCc1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C14H25O2Si3.Li/c1-18(2,3)17(19(4,5)6)14(15)16-12-13-10-8-7-9-11-13;/h7-11H,12H2,1-6H3;/q-1;+1
InChIKeyNDRUOHHOUUFFDI-UHFFFAOYSA-N
MW316.55 g/mol
LogP1.24
Rot. Bonds5

About lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide

lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide (PubChem CID 177424968) has the molecular formula C14H25LiO2Si3 and a molecular weight of 316.55 g/mol. Its IUPAC name is lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide.

Molecular Properties

Compound Namelithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide
PubChem CID177424968
Molecular FormulaC14H25LiO2Si3
Molecular Weight316.55 g/mol
Exact Mass316.13
IUPAC Namelithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide
SMILESC[Si](C)(C)[Si-](C(=O)OCc1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C14H25O2Si3.Li/c1-18(2,3)17(19(4,5)6)14(15)16-12-13-10-8-7-9-11-13;/h7-11H,12H2,1-6H3;/q-1;+1
InChIKeyNDRUOHHOUUFFDI-UHFFFAOYSA-N
XLogP1.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.55
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl acetate
CID 8785
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl 2-triphenylsilylacetate
CID 134956777
benzyl 2-trimethylsilylprop-2-enoate
CID 14946722
CID 174906307
CID 174906307
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
benzyl 3-hydroxybutanoate
CID 562226
benzyl carbonochloridate
CID 10387
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl carbamate;heptahydrochloride
CID 141351835
benzyl acetate;formonitrile
CID 175329925

Frequently Asked Questions

What is the IUPAC name of lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide?
The IUPAC name of lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide (CID 177424968) is lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide.
What is the SMILES notation for lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide?
The canonical SMILES for lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide is C[Si](C)(C)[Si-](C(=O)OCc1ccccc1)[Si](C)(C)C.[Li+].
What is the InChIKey of lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide?
The InChIKey is NDRUOHHOUUFFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O2Si3.Li/c1-18(2,3)17(19(4,5)6)14(15)16-12-13-10-8-7-9-11-13;/h7-11H,12H2,1-6H3;/q-1;+1.
What are the key properties of lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide?
lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide has a molecular weight of 316.55 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenylmethoxycarbonyl-bis(trimethylsilyl)silanide is sourced from PubChem (CID 177424968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).