lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane

C18H31LiO2Si — CID 175170398

IUPAClithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane
SMILESCC[Si](CC)(CC)c1cc(C)ccc1OC1CCCCO1.[H-].[Li+]
InChIInChI=1S/C18H30O2Si.Li.H/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;;/h11-12,14,18H,5-10,13H2,1-4H3;;/q;+1;-1
InChIKeyQKXISHOAYTYJPS-UHFFFAOYSA-N
MW314.47 g/mol
LogP1.73
Rot. Bonds6

About lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane

lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane (PubChem CID 175170398) has the molecular formula C18H31LiO2Si and a molecular weight of 314.47 g/mol. Its IUPAC name is lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane.

Molecular Properties

Compound Namelithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane
PubChem CID175170398
Molecular FormulaC18H31LiO2Si
Molecular Weight314.47 g/mol
Exact Mass314.23
IUPAC Namelithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane
SMILESCC[Si](CC)(CC)c1cc(C)ccc1OC1CCCCO1.[H-].[Li+]
InChIInChI=1S/C18H30O2Si.Li.H/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;;/h11-12,14,18H,5-10,13H2,1-4H3;;/q;+1;-1
InChIKeyQKXISHOAYTYJPS-UHFFFAOYSA-N
XLogP1.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.73
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

2-(2,5-dimethylphenoxy)oxane
CID 15305690
lithium triethyl-[5-methyl-2-(oxan-2-yloxy)-3-phenylphenyl]silane
CID 154622804
9-[5-methyl-2-(oxan-2-yloxy)phenyl]-3,6-bis(2,4,4-trimethylpentan-2-yl)carbazole
CID 66779857
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
4-methyl-2-(oxan-2-yloxymethyl)benzenethiol
CID 19776911
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
2-(6-bromo-1-methylnaphthalen-2-yl)oxyoxane
CID 15701095
[2-ethoxy-5-[(2R)-oxan-2-yl]oxyphenyl]methanol
CID 99717398
2-(3,4-dimethylphenoxy)oxane
CID 10987441

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane?
The IUPAC name of lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane (CID 175170398) is lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane.
What is the SMILES notation for lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane?
The canonical SMILES for lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane is CC[Si](CC)(CC)c1cc(C)ccc1OC1CCCCO1.[H-].[Li+].
What is the InChIKey of lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane?
The InChIKey is QKXISHOAYTYJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2Si.Li.H/c1-5-21(6-2,7-3)17-14-15(4)11-12-16(17)20-18-10-8-9-13-19-18;;/h11-12,14,18H,5-10,13H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane?
lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane has a molecular weight of 314.47 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane is sourced from PubChem (CID 175170398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).