lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane

C19H35LiOSi — CID 134942751

IUPAClithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane
SMILESCC1=CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C=[C-]1.[Li+]
InChIInChI=1S/C19H35OSi.Li/c1-14(2)21(15(3)4,16(5)6)20-13-18(8)19-11-9-17(7)10-12-19;/h9,12,14-16,18-19H,11,13H2,1-8H3;/q-1;+1/t18-,19+;/m1./s1
InChIKeyIAPMZXCLODKKMN-VOMIJIAVSA-N
MW314.51 g/mol
LogP3.14
Rot. Bonds7

About lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane

lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane (PubChem CID 134942751) has the molecular formula C19H35LiOSi and a molecular weight of 314.51 g/mol. Its IUPAC name is lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Namelithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane
PubChem CID134942751
Molecular FormulaC19H35LiOSi
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Namelithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane
SMILESCC1=CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C=[C-]1.[Li+]
InChIInChI=1S/C19H35OSi.Li/c1-14(2)21(15(3)4,16(5)6)20-13-18(8)19-11-9-17(7)10-12-19;/h9,12,14-16,18-19H,11,13H2,1-8H3;/q-1;+1/t18-,19+;/m1./s1
InChIKeyIAPMZXCLODKKMN-VOMIJIAVSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane 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

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
(2-Methylcyclohexa-2,4-dien-1-yl)methoxy-tri(propan-2-yl)silane
CID 15174762
tert-butyl-[[(1R)-3-ethenylcyclohex-3-en-1-yl]methoxy]-dimethylsilane
CID 16220312
[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
CID 102150886
t-Butyldimethyl{[(1r,2r,6r)-2-methyl-6-vinylcyclohex-3-en-1-yl]methoxy}silane
CID 129758377
[(1R,6R)-2-methyl-6-[tri(propan-2-yl)silyloxymethyl]cyclohexa-2,4-dien-1-yl]methoxy-tri(propan-2-yl)silane
CID 134980490
tert-butyl-[[(3E,4E)-3-butylidene-4-ethylidenecyclopentyl]methoxy]-dimethylsilane
CID 134983389
t-Butyl-dimethyl-[2-(4-methyl-cyclohex-3-enyl)-propoxy]-silane
CID 584625

Frequently Asked Questions

What is the IUPAC name of lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane?
The IUPAC name of lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane (CID 134942751) is lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane?
The canonical SMILES for lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane is CC1=CC[C@H]([C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C)C=[C-]1.[Li+].
What is the InChIKey of lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane?
The InChIKey is IAPMZXCLODKKMN-VOMIJIAVSA-N. The full InChI is InChI=1S/C19H35OSi.Li/c1-14(2)21(15(3)4,16(5)6)20-13-18(8)19-11-9-17(7)10-12-19;/h9,12,14-16,18-19H,11,13H2,1-8H3;/q-1;+1/t18-,19+;/m1./s1.
What are the key properties of lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane?
lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane has a molecular weight of 314.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(2S)-2-[(1S)-4-methylcyclohexa-2,4-dien-1-yl]propoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 134942751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).