(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal

C16H28O2Si — CID 102574602

IUPAC(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal
SMILESC/C(C=O)=C1\C=CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H28O2Si/c1-13(12-17)14-8-7-9-15(11-10-14)18-19(5,6)16(2,3)4/h10-12,15H,7-9H2,1-6H3/b14-13+
InChIKeyKPHAKWJCOVNMQH-BUHFOSPRSA-N
MW280.48 g/mol
LogP4.63
Rot. Bonds3

About (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal

(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal (PubChem CID 102574602) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal.

Molecular Properties

Compound Name(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal
PubChem CID102574602
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal
SMILESC/C(C=O)=C1\C=CC(O[Si](C)(C)C(C)(C)C)CCC1
InChIInChI=1S/C16H28O2Si/c1-13(12-17)14-8-7-9-15(11-10-14)18-19(5,6)16(2,3)4/h10-12,15H,7-9H2,1-6H3/b14-13+
InChIKeyKPHAKWJCOVNMQH-BUHFOSPRSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde
CID 66552699
(2E)-2-(2-trimethylsilyloxycyclohex-2-en-1-ylidene)acetaldehyde
CID 134947630
(2E,4S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylundeca-2,8,10-trienal
CID 134949903
3-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-methylcyclopent-2-en-1-one
CID 10427154
(2E,6E)-10-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
CID 21242341
10-[Tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-2,6,11-trienal
CID 57088060
(3Z)-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexylidene]propanal
CID 57562507
(6E)-10-(tert.-butyldimethylsiloxy)-3,7,11-trimethyl-2,6,11-dodecatrienal
CID 86743007
(E)-4-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexen-1-yl]but-3-en-2-one
CID 10637589
(3E,5E,7E,9E,11S)-11-[tert-butyl(dimethyl)silyl]oxyhexadeca-3,5,7,9-tetraen-2-one
CID 11272035
(2E,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxyundeca-2,4-dienal;carbon monoxide;iron
CID 11316505

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal?
The IUPAC name of (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal (CID 102574602) is (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal.
What is the SMILES notation for (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal?
The canonical SMILES for (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal is C/C(C=O)=C1\C=CC(O[Si](C)(C)C(C)(C)C)CCC1.
What is the InChIKey of (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal?
The InChIKey is KPHAKWJCOVNMQH-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-13(12-17)14-8-7-9-15(11-10-14)18-19(5,6)16(2,3)4/h10-12,15H,7-9H2,1-6H3/b14-13+.
What are the key properties of (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal?
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal has a molecular weight of 280.48 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal is sourced from PubChem (CID 102574602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).