[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane

C13H22O2Si — CID 10014458

IUPAC[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O2Si/c1-11(8-7-9-16(4,5)6)12-10-14-13(2,3)15-12/h8,12H,10H2,1-6H3/b11-8+/t12-/m1/s1
InChIKeyCCWPXOQGIYCFFE-JATZPVMKSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds1

About [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane

[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane (PubChem CID 10014458) has the molecular formula C13H22O2Si and a molecular weight of 238.40 g/mol. Its IUPAC name is [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane
PubChem CID10014458
Molecular FormulaC13H22O2Si
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H22O2Si/c1-11(8-7-9-16(4,5)6)12-10-14-13(2,3)15-12/h8,12H,10H2,1-6H3/b11-8+/t12-/m1/s1
InChIKeyCCWPXOQGIYCFFE-JATZPVMKSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane (CID 10014458) is [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane is C/C(=C\C#C[Si](C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is CCWPXOQGIYCFFE-JATZPVMKSA-N. The full InChI is InChI=1S/C13H22O2Si/c1-11(8-7-9-16(4,5)6)12-10-14-13(2,3)15-12/h8,12H,10H2,1-6H3/b11-8+/t12-/m1/s1.
What are the key properties of [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane?
[(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 238.40 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10014458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).