dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane

C17H26O3Si — CID 134885323

IUPACdimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane
SMILESC=CCCCO[Si](C)(C)C#CC#CCOC1CCCCO1
InChIInChI=1S/C17H26O3Si/c1-4-5-8-15-20-21(2,3)16-11-6-9-13-18-17-12-7-10-14-19-17/h4,17H,1,5,7-8,10,12-15H2,2-3H3
InChIKeyWTHGFHBPTQLZST-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.26
Rot. Bonds7

About dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane

dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane (PubChem CID 134885323) has the molecular formula C17H26O3Si and a molecular weight of 306.48 g/mol. Its IUPAC name is dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane.

Molecular Properties

Compound Namedimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane
PubChem CID134885323
Molecular FormulaC17H26O3Si
Molecular Weight306.48 g/mol
Exact Mass306.17
IUPAC Namedimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane
SMILESC=CCCCO[Si](C)(C)C#CC#CCOC1CCCCO1
InChIInChI=1S/C17H26O3Si/c1-4-5-8-15-20-21(2,3)16-11-6-9-13-18-17-12-7-10-14-19-17/h4,17H,1,5,7-8,10,12-15H2,2-3H3
InChIKeyWTHGFHBPTQLZST-UHFFFAOYSA-N
XLogP3.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

trimethyl-[(Z)-6-(oxan-2-yloxy)hex-2-enyl]silane
CID 15103855
trimethyl-[(Z)-7-(oxan-2-yloxy)hept-3-en-1,5-diynyl]silane
CID 10706640
But-3-enoxy-dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]silane
CID 134885227
Dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-prop-2-enoxysilane
CID 134897559
CID 134901174
CID 134901174
CID 134901271
CID 134901271
trimethyl-[(Z)-6-(oxan-2-yloxy)-2-tributylstannylhex-1-enyl]silane
CID 164686396
trimethyl-[(E)-2-methylidene-9-(oxan-2-yloxy)non-5-en-3,7-diynyl]silane
CID 15207685
Allyldimethyl-[4-(terahydropyran-2-yloxy)-but-1-ynyl]-silane
CID 20726336
Dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
CID 22717485
5-((tert-Butyldimethylsilyl)oxy)-1-((tetrahydropyranyl)oxy)-1-pentene
CID 53639673
7-(2-Tetrahydropyranyloxy)-1-(trimethylsilyl)-3-heptene-1,5-diyne
CID 54246246

Frequently Asked Questions

What is the IUPAC name of dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane?
The IUPAC name of dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane (CID 134885323) is dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane.
What is the SMILES notation for dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane?
The canonical SMILES for dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane is C=CCCCO[Si](C)(C)C#CC#CCOC1CCCCO1.
What is the InChIKey of dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane?
The InChIKey is WTHGFHBPTQLZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3Si/c1-4-5-8-15-20-21(2,3)16-11-6-9-13-18-17-12-7-10-14-19-17/h4,17H,1,5,7-8,10,12-15H2,2-3H3.
What are the key properties of dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane?
dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane has a molecular weight of 306.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[5-(oxan-2-yloxy)penta-1,3-diynyl]-pent-4-enoxysilane is sourced from PubChem (CID 134885323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).