tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane

C16H30O2Si — CID 101269831

IUPACtert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane
SMILESCOCCC/C=C(\C#C[Si](C)(C)C(C)(C)C)COC
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(6,7)13-11-15(14-18-5)10-8-9-12-17-4/h10H,8-9,12,14H2,1-7H3/b15-10+
InChIKeyPFYAHSLOSCRBQG-XNTDXEJSSA-N
MW282.50 g/mol
LogP4.04
Rot. Bonds6

About tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane

tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane (PubChem CID 101269831) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane
PubChem CID101269831
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Nametert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane
SMILESCOCCC/C=C(\C#C[Si](C)(C)C(C)(C)C)COC
InChIInChI=1S/C16H30O2Si/c1-16(2,3)19(6,7)13-11-15(14-18-5)10-8-9-12-17-4/h10H,8-9,12,14H2,1-7H3/b15-10+
InChIKeyPFYAHSLOSCRBQG-XNTDXEJSSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-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

tert-butyl-[(E)-8-methoxy-4-methyloct-4-en-7-ynoxy]-dimethylsilane
CID 134893107
2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
CID 68606666
[(3E)-5-methoxy-3-methylhepta-3,6-dien-1-ynyl]-trimethylsilane
CID 11333265
tert-butyl-[(2E,6E)-3,7-dimethyl-8-prop-2-ynoxyocta-2,6-dienoxy]-dimethylsilane
CID 13820175
tert-butyl-dimethyl-[[(7E,11E,15E)-8,12,16-trimethyl-1-oxacycloheptadeca-7,11,15-trien-3-yn-6-yl]oxy]silane
CID 14138487
CID 16043562
CID 16043562
CID 16043563
CID 16043563
carbon monoxide;chromium;3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
CID 23181318
3-[(2E,6E)-2,6-dimethyldeca-2,6-dien-9-ynoxy]prop-1-en-2-yl-trimethylsilane
CID 23181319
tert-butyl-[(E)-4-(1-methoxyethyl)hept-4-en-2,6-diynoxy]-dimethylsilane
CID 24773156
Trimethyl-(6-methyl-2,3,4,7-tetrahydrooxepin-4-yl)silane
CID 101115587
Triethyl-[2-[2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-dien-1-yl]ethynyl]silane
CID 102237621

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane?
The IUPAC name of tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane (CID 101269831) is tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane is COCCC/C=C(\C#C[Si](C)(C)C(C)(C)C)COC.
What is the InChIKey of tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane?
The InChIKey is PFYAHSLOSCRBQG-XNTDXEJSSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-16(2,3)19(6,7)13-11-15(14-18-5)10-8-9-12-17-4/h10H,8-9,12,14H2,1-7H3/b15-10+.
What are the key properties of tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane?
tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane has a molecular weight of 282.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-7-methoxy-3-(methoxymethyl)hept-3-en-1-ynyl]-dimethylsilane is sourced from PubChem (CID 101269831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).