[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane

C16H30OSi — CID 101348557

IUPAC[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-8-9-10-11-12-13-17-18(14(2)3,15(4)5)16(6)7/h1,11-12,14-16H,9-10,13H2,2-7H3/b12-11+
InChIKeyITDOYLJPVOLBIR-VAWYXSNFSA-N
MW266.50 g/mol
LogP5.15
Rot. Bonds8

About [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane

[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane (PubChem CID 101348557) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
PubChem CID101348557
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Name[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
SMILESC#CCC/C=C/CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H30OSi/c1-8-9-10-11-12-13-17-18(14(2)3,15(4)5)16(6)7/h1,11-12,14-16H,9-10,13H2,2-7H3/b12-11+
InChIKeyITDOYLJPVOLBIR-VAWYXSNFSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.15
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(E)-hept-2-en-6-ynoxy]-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

cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
2-Hexen-1-ol, (Z)-, TMS derivative
CID 91697200
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
tert-butyl-[(E)-hex-4-en-1-yn-3-yl]oxy-dimethylsilane
CID 102341291
tert-butyl-[(E,3R)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
CID 122377729
tert-butyl-dimethyl-[(3Z,5S,7Z,10Z)-trideca-3,7,10-trien-1-yn-5-yl]oxysilane
CID 122386867
(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
CID 132278645
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tert-butyl-[(2E)-3,7-dimethyldodeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866068
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143

Frequently Asked Questions

What is the IUPAC name of [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane (CID 101348557) is [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane is C#CCC/C=C/CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
The InChIKey is ITDOYLJPVOLBIR-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H30OSi/c1-8-9-10-11-12-13-17-18(14(2)3,15(4)5)16(6)7/h1,11-12,14-16H,9-10,13H2,2-7H3/b12-11+.
What are the key properties of [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane?
[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane has a molecular weight of 266.50 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 101348557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).