(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde

C14H24O2Si — CID 66552699

IUPAC(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC/C1=C\C=O
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-9-7-6-8-12(13)10-11-15/h9-11H,6-8H2,1-5H3/b12-10+
InChIKeyRCKARYIYFXPKLW-ZRDIBKRKSA-N
MW252.43 g/mol
LogP4.20
Rot. Bonds3

About (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde

(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde (PubChem CID 66552699) has the molecular formula C14H24O2Si and a molecular weight of 252.43 g/mol. Its IUPAC name is (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde
PubChem CID66552699
Molecular FormulaC14H24O2Si
Molecular Weight252.43 g/mol
Exact Mass252.15
IUPAC Name(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde
SMILESCC(C)(C)[Si](C)(C)OC1=CCCC/C1=C\C=O
InChIInChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-9-7-6-8-12(13)10-11-15/h9-11H,6-8H2,1-5H3/b12-10+
InChIKeyRCKARYIYFXPKLW-ZRDIBKRKSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde?
The IUPAC name of (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde (CID 66552699) is (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde.
What is the SMILES notation for (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde?
The canonical SMILES for (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde is CC(C)(C)[Si](C)(C)OC1=CCCC/C1=C\C=O.
What is the InChIKey of (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde?
The InChIKey is RCKARYIYFXPKLW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H24O2Si/c1-14(2,3)17(4,5)16-13-9-7-6-8-12(13)10-11-15/h9-11H,6-8H2,1-5H3/b12-10+.
What are the key properties of (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde?
(2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde has a molecular weight of 252.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ylidene]acetaldehyde is sourced from PubChem (CID 66552699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).