(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde

C19H34O2Si — CID 10358794

IUPAC(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C1\CCCC=C1C=O
InChIInChI=1S/C19H34O2Si/c1-19(2,3)22(4,5)21-15-11-7-6-8-12-17-13-9-10-14-18(17)16-20/h12,14,16H,6-11,13,15H2,1-5H3/b17-12+
InChIKeyHEILNYYELLOXRD-SFQUDFHCSA-N
MW322.56 g/mol
LogP5.80
Rot. Bonds8

About (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde

(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde (PubChem CID 10358794) has the molecular formula C19H34O2Si and a molecular weight of 322.56 g/mol. Its IUPAC name is (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde
PubChem CID10358794
Molecular FormulaC19H34O2Si
Molecular Weight322.56 g/mol
Exact Mass322.23
IUPAC Name(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde
SMILESCC(C)(C)[Si](C)(C)OCCCCC/C=C1\CCCC=C1C=O
InChIInChI=1S/C19H34O2Si/c1-19(2,3)22(4,5)21-15-11-7-6-8-12-17-13-9-10-14-18(17)16-20/h12,14,16H,6-11,13,15H2,1-5H3/b17-12+
InChIKeyHEILNYYELLOXRD-SFQUDFHCSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.56
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-dimethyl-octadec-17-enoxysilane
CID 24879926
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclobutanamine
CID 71580660
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde?
The IUPAC name of (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde (CID 10358794) is (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde.
What is the SMILES notation for (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde?
The canonical SMILES for (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde is CC(C)(C)[Si](C)(C)OCCCCC/C=C1\CCCC=C1C=O.
What is the InChIKey of (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde?
The InChIKey is HEILNYYELLOXRD-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H34O2Si/c1-19(2,3)22(4,5)21-15-11-7-6-8-12-17-13-9-10-14-18(17)16-20/h12,14,16H,6-11,13,15H2,1-5H3/b17-12+.
What are the key properties of (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde?
(6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde has a molecular weight of 322.56 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[6-[tert-butyl(dimethyl)silyl]oxyhexylidene]cyclohexene-1-carbaldehyde is sourced from PubChem (CID 10358794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).