tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane

C22H38OSi — CID 11359968

IUPACtert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
SMILESCCCCCC#CCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h17-18H,7-10,13-14,19-21H2,1-6H3/b18-17+
InChIKeyMHJAGPYWGJBIFR-ISLYRVAYSA-N
MW346.63 g/mol
LogP6.71
Rot. Bonds9

About tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane

tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane (PubChem CID 11359968) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
PubChem CID11359968
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
SMILESCCCCCC#CCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h17-18H,7-10,13-14,19-21H2,1-6H3/b18-17+
InChIKeyMHJAGPYWGJBIFR-ISLYRVAYSA-N
XLogP6.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane 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

bis[(4Z)-Dec-4-en-1-yloxy](dimethyl)silane
CID 91694592
Silane, dimethyldi(dec-4-enyloxy)-
CID 91694593
cis-3-Nonen-1-ol, tert-butyldimethylsilyl ether
CID 91732583
(Z)-4-Decen-1-ol, tert-butyldimethylsilyl ether
CID 91734630
tert-butyl-dimethyl-[(E)-6-trimethylsilylundec-4-enoxy]silane
CID 11382734
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
tert-butyl-[(7E,11E,13Z)-hexadeca-7,11,13-trien-9-ynoxy]-dimethylsilane
CID 12150580
[(E)-hexadec-10-en-12-ynoxy]-trimethylsilane
CID 15933165
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
(E)-tert-Butyldimethyl-(9-(trimethylsilyl)non-5-en-8-ynyloxy)silane
CID 45259157
tert-butyl-dimethyl-[(E)-8-trimethylsilyloct-4-en-7-ynoxy]silane
CID 101521848
(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
CID 132278645

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane (CID 11359968) is tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane is CCCCCC#CCCC#C/C=C/CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?
The InChIKey is MHJAGPYWGJBIFR-ISLYRVAYSA-N. The full InChI is InChI=1S/C22H38OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h17-18H,7-10,13-14,19-21H2,1-6H3/b18-17+.
What are the key properties of tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane?
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane is sourced from PubChem (CID 11359968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).