dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane

C14H24O2Si — CID 20726336

IUPACdimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C#CCCOC1CCCCO1
InChIInChI=1S/C14H24O2Si/c1-4-12-17(2,3)13-8-7-11-16-14-9-5-6-10-15-14/h4,14H,1,5-7,9-12H2,2-3H3
InChIKeyNKKUVFRDCRRQIY-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.36
Rot. Bonds5

About dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane

dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane (PubChem CID 20726336) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane.

Molecular Properties

Compound Namedimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane
PubChem CID20726336
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Namedimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C#CCCOC1CCCCO1
InChIInChI=1S/C14H24O2Si/c1-4-12-17(2,3)13-8-7-11-16-14-9-5-6-10-15-14/h4,14H,1,5-7,9-12H2,2-3H3
InChIKeyNKKUVFRDCRRQIY-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.36
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane?
The IUPAC name of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane (CID 20726336) is dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane.
What is the SMILES notation for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane?
The canonical SMILES for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane is C=CC[Si](C)(C)C#CCCOC1CCCCO1.
What is the InChIKey of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane?
The InChIKey is NKKUVFRDCRRQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-4-12-17(2,3)13-8-7-11-16-14-9-5-6-10-15-14/h4,14H,1,5-7,9-12H2,2-3H3.
What are the key properties of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane?
dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane has a molecular weight of 252.43 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-prop-2-enylsilane is sourced from PubChem (CID 20726336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).