lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane

C16H27LiO4Si — CID 134876299

IUPAClithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane
SMILESCC1(C)OCC([C@@H](O[Si](C)(C)C(C)(C)C)c2cc[c-]o2)O1.[Li+]
InChIInChI=1S/C16H27O4Si.Li/c1-15(2,3)21(6,7)20-14(12-9-8-10-17-12)13-11-18-16(4,5)19-13;/h8-9,13-14H,11H2,1-7H3;/q-1;+1/t13?,14-;/m0./s1
InChIKeyPXZSKPNNPDFBHM-IJDFPQMLSA-N
MW318.41 g/mol
LogP1.30
Rot. Bonds4

About lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane

lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane (PubChem CID 134876299) has the molecular formula C16H27LiO4Si and a molecular weight of 318.41 g/mol. Its IUPAC name is lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Namelithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane
PubChem CID134876299
Molecular FormulaC16H27LiO4Si
Molecular Weight318.41 g/mol
Exact Mass318.18
IUPAC Namelithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane
SMILESCC1(C)OCC([C@@H](O[Si](C)(C)C(C)(C)C)c2cc[c-]o2)O1.[Li+]
InChIInChI=1S/C16H27O4Si.Li/c1-15(2,3)21(6,7)20-14(12-9-8-10-17-12)13-11-18-16(4,5)19-13;/h8-9,13-14H,11H2,1-7H3;/q-1;+1/t13?,14-;/m0./s1
InChIKeyPXZSKPNNPDFBHM-IJDFPQMLSA-N
XLogP1.30
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[(1E,3E)-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethoxybuta-1,3-dienyl]-dimethylsilane
CID 11004189

Frequently Asked Questions

What is the IUPAC name of lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane?
The IUPAC name of lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane (CID 134876299) is lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane.
What is the SMILES notation for lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane?
The canonical SMILES for lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane is CC1(C)OCC([C@@H](O[Si](C)(C)C(C)(C)C)c2cc[c-]o2)O1.[Li+].
What is the InChIKey of lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane?
The InChIKey is PXZSKPNNPDFBHM-IJDFPQMLSA-N. The full InChI is InChI=1S/C16H27O4Si.Li/c1-15(2,3)21(6,7)20-14(12-9-8-10-17-12)13-11-18-16(4,5)19-13;/h8-9,13-14H,11H2,1-7H3;/q-1;+1/t13?,14-;/m0./s1.
What are the key properties of lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane?
lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane has a molecular weight of 318.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium tert-butyl-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-(2H-furan-2-id-5-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 134876299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).