hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane

C7H14O2Si — CID 142711166

IUPAChydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane
SMILESC=C/C=C(\C)[Si](C)(O)OC
InChIInChI=1S/C7H14O2Si/c1-5-6-7(2)10(4,8)9-3/h5-6,8H,1H2,2-4H3/b7-6+
InChIKeyLQFFUAZEXDTMHL-VOTSOKGWSA-N
MW158.27 g/mol
LogP1.37
Rot. Bonds3

About hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane

hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane (PubChem CID 142711166) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane.

Molecular Properties

Compound Namehydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane
PubChem CID142711166
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namehydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane
SMILESC=C/C=C(\C)[Si](C)(O)OC
InChIInChI=1S/C7H14O2Si/c1-5-6-7(2)10(4,8)9-3/h5-6,8H,1H2,2-4H3/b7-6+
InChIKeyLQFFUAZEXDTMHL-VOTSOKGWSA-N
XLogP1.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane?
The IUPAC name of hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane (CID 142711166) is hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane.
What is the SMILES notation for hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane?
The canonical SMILES for hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane is C=C/C=C(\C)[Si](C)(O)OC.
What is the InChIKey of hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane?
The InChIKey is LQFFUAZEXDTMHL-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-5-6-7(2)10(4,8)9-3/h5-6,8H,1H2,2-4H3/b7-6+.
What are the key properties of hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane?
hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane has a molecular weight of 158.27 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-methyl-[(2E)-penta-2,4-dien-2-yl]silane is sourced from PubChem (CID 142711166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).