(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine

C18H29NOSi — CID 10266990

IUPAC(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine
SMILES[H]/N=C(CCCC)/C(CC)=C(\O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NOSi/c1-6-8-14-17(19)16(7-2)18(20-21(3,4)5)15-12-10-9-11-13-15/h9-13,19H,6-8,14H2,1-5H3/b18-16-,19-17+
InChIKeySCPIJAOKLIOIDR-JQNBNMKOSA-N
MW303.52 g/mol
LogP5.87
Rot. Bonds8

About (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine

(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine (PubChem CID 10266990) has the molecular formula C18H29NOSi and a molecular weight of 303.52 g/mol. Its IUPAC name is (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine.

Molecular Properties

Compound Name(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine
PubChem CID10266990
Molecular FormulaC18H29NOSi
Molecular Weight303.52 g/mol
Exact Mass303.20
IUPAC Name(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine
SMILES[H]/N=C(CCCC)/C(CC)=C(\O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C18H29NOSi/c1-6-8-14-17(19)16(7-2)18(20-21(3,4)5)15-12-10-9-11-13-15/h9-13,19H,6-8,14H2,1-5H3/b18-16-,19-17+
InChIKeySCPIJAOKLIOIDR-JQNBNMKOSA-N
XLogP5.87
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-iminohexanoic acid
CID 54447751
[(E)-hept-2-en-3-yl]benzene
CID 14568345
1-pyridin-3-ylpentan-1-imine
CID 19790330
trimethylsilyl 4-benzamidobutanoate
CID 10802651
ethane;1-phenylpentan-1-one
CID 143728184
(1-hexoxy-2-methylbut-1-enyl)benzene
CID 57323578
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
(2-methyl-1-pentoxyprop-1-enyl)benzene
CID 162689985
trimethylsilyl 10-benzamidodecanoate
CID 10808726
1-(3-fluorophenyl)pentan-1-imine
CID 125478638
trimethyl-[(Z)-1-[(2-methylpropan-2-yl)oxy]-2-phenylbut-1-enoxy]silane
CID 101240316
2-(1,2-diphenylethenyl)hex-1-enyl-trimethylsilane
CID 10437633

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine?
The IUPAC name of (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine (CID 10266990) is (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine.
What is the SMILES notation for (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine?
The canonical SMILES for (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine is [H]/N=C(CCCC)/C(CC)=C(\O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine?
The InChIKey is SCPIJAOKLIOIDR-JQNBNMKOSA-N. The full InChI is InChI=1S/C18H29NOSi/c1-6-8-14-17(19)16(7-2)18(20-21(3,4)5)15-12-10-9-11-13-15/h9-13,19H,6-8,14H2,1-5H3/b18-16-,19-17+.
What are the key properties of (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine?
(3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine has a molecular weight of 303.52 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[phenyl(trimethylsilyloxy)methylidene]octan-4-imine is sourced from PubChem (CID 10266990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).