(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal

C18H36O2Si — CID 11278400

IUPAC(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC/C=C/C=O
InChIInChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h12,14,16H,6-11,13,15,17H2,1-5H3/b14-12+
InChIKeyRDMAXBRUNDJPMK-WYMLVPIESA-N
MW312.57 g/mol
LogP5.88
Rot. Bonds12

About (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal

(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal (PubChem CID 11278400) has the molecular formula C18H36O2Si and a molecular weight of 312.57 g/mol. Its IUPAC name is (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal.

Molecular Properties

Compound Name(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal
PubChem CID11278400
Molecular FormulaC18H36O2Si
Molecular Weight312.57 g/mol
Exact Mass312.25
IUPAC Name(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCCCCCCC/C=C/C=O
InChIInChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h12,14,16H,6-11,13,15,17H2,1-5H3/b14-12+
InChIKeyRDMAXBRUNDJPMK-WYMLVPIESA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.57
LogP ≤ 55.88
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-3-en-2-one
CID 101860242
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
CID 14591868
(E)-8-[tert-butyl(dimethyl)silyl]oxy-4-ethyloct-3-en-2-one
CID 101265045
(E)-13-[tert-butyl(dimethyl)silyl]oxytridec-3-en-2-one
CID 53344197
(E)-12-[tert-butyl(dimethyl)silyl]oxyoctadec-4-enal
CID 10453377
2-[5-[Tert-butyl(dimethyl)silyl]oxycyclooctylidene]acetaldehyde
CID 22319781
(E,8R)-8-[tert-butyl(dimethyl)silyl]oxynon-2-enal
CID 89996326
5-Trimethylsilyloxydec-2-enal
CID 140330499
(E)-2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]dec-2-enal
CID 160090056
(E)-4,5-bis[tri(propan-2-yl)silyloxy]dec-2-enal
CID 177269516
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-one
CID 10603439

Frequently Asked Questions

What is the IUPAC name of (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal?
The IUPAC name of (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal (CID 11278400) is (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal.
What is the SMILES notation for (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal?
The canonical SMILES for (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal is CC(C)(C)[Si](C)(C)OCCCCCCCCC/C=C/C=O.
What is the InChIKey of (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal?
The InChIKey is RDMAXBRUNDJPMK-WYMLVPIESA-N. The full InChI is InChI=1S/C18H36O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h12,14,16H,6-11,13,15,17H2,1-5H3/b14-12+.
What are the key properties of (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal?
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal has a molecular weight of 312.57 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal is sourced from PubChem (CID 11278400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).