dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane

C13H22O2Si — CID 22717485

IUPACdimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C#CCOC1CCCCO1
InChIInChI=1S/C13H22O2Si/c1-4-11-16(2,3)12-7-10-15-13-8-5-6-9-14-13/h4,13H,1,5-6,8-11H2,2-3H3
InChIKeyYNGDZVOCXNWLRC-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.97
Rot. Bonds4

About dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane

dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane (PubChem CID 22717485) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane.

Molecular Properties

Compound Namedimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
PubChem CID22717485
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Namedimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane
SMILESC=CC[Si](C)(C)C#CCOC1CCCCO1
InChIInChI=1S/C13H22O2Si/c1-4-11-16(2,3)12-7-10-15-13-8-5-6-9-14-13/h4,13H,1,5-6,8-11H2,2-3H3
InChIKeyYNGDZVOCXNWLRC-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane?
The IUPAC name of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane (CID 22717485) is dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane.
What is the SMILES notation for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane?
The canonical SMILES for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane is C=CC[Si](C)(C)C#CCOC1CCCCO1.
What is the InChIKey of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane?
The InChIKey is YNGDZVOCXNWLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-4-11-16(2,3)12-7-10-15-13-8-5-6-9-14-13/h4,13H,1,5-6,8-11H2,2-3H3.
What are the key properties of dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane?
dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane has a molecular weight of 238.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-prop-2-enylsilane is sourced from PubChem (CID 22717485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).