hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane

C19H38O3Si — CID 135076590

IUPAChydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane
SMILESCCCCC/C=C(\COC1CCCCO1)[Si](O)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-6-7-8-9-12-18(23(20,16(2)3)17(4)5)15-22-19-13-10-11-14-21-19/h12,16-17,19-20H,6-11,13-15H2,1-5H3/b18-12+
InChIKeyQVUFPVOWSDHUME-LDADJPATSA-N
MW342.60 g/mol
LogP5.33
Rot. Bonds10

About hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane

hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane (PubChem CID 135076590) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane.

Molecular Properties

Compound Namehydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane
PubChem CID135076590
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Namehydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane
SMILESCCCCC/C=C(\COC1CCCCO1)[Si](O)(C(C)C)C(C)C
InChIInChI=1S/C19H38O3Si/c1-6-7-8-9-12-18(23(20,16(2)3)17(4)5)15-22-19-13-10-11-14-21-19/h12,16-17,19-20H,6-11,13-15H2,1-5H3/b18-12+
InChIKeyQVUFPVOWSDHUME-LDADJPATSA-N
XLogP5.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-dimethyl-[(Z)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509921
hydroxy-dimethyl-[(E)-4-(oxan-2-yloxy)but-2-en-2-yl]silane
CID 102509935
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
tert-butyl-[(6E,10E)-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726381
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
CID 10791321
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
Tert-butyl-dimethyl-[2,6,10-trimethyl-12-(oxan-2-yloxy)dodeca-1,6,10-trien-3-yl]oxysilane
CID 57058828
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 59560724
tert-butyl-dimethyl-[(4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 66603327
(6E,10Z)-3-(tert.-butyldimethylsilyloxy)-2,6,10-trimethyl-12-[(tetrahydro-2H-pyran-2-yl)oxy]-1,6,10-dodecatriene
CID 70394004
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane?
The IUPAC name of hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane (CID 135076590) is hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane.
What is the SMILES notation for hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane?
The canonical SMILES for hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane is CCCCC/C=C(\COC1CCCCO1)[Si](O)(C(C)C)C(C)C.
What is the InChIKey of hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane?
The InChIKey is QVUFPVOWSDHUME-LDADJPATSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-6-7-8-9-12-18(23(20,16(2)3)17(4)5)15-22-19-13-10-11-14-21-19/h12,16-17,19-20H,6-11,13-15H2,1-5H3/b18-12+.
What are the key properties of hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane?
hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane has a molecular weight of 342.60 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(E)-1-(oxan-2-yloxy)oct-2-en-2-yl]-di(propan-2-yl)silane is sourced from PubChem (CID 135076590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).