(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal

C16H34O2SiSn — CID 14591868

IUPAC(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C(=C/C=O)[Sn](C)(C)C
InChIInChI=1S/C13H25O2Si.3CH3.Sn/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14;;;;/h9,11H,6,8,10,12H2,1-5H3;3*1H3;
InChIKeyNERBPPZYQLJEAP-UHFFFAOYSA-N
MW405.24 g/mol
LogP5.18
Rot. Bonds8

About (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal

(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal (PubChem CID 14591868) has the molecular formula C16H34O2SiSn and a molecular weight of 405.24 g/mol. Its IUPAC name is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal.

Molecular Properties

Compound Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
PubChem CID14591868
Molecular FormulaC16H34O2SiSn
Molecular Weight405.24 g/mol
Exact Mass406.14
IUPAC Name(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C(=C/C=O)[Sn](C)(C)C
InChIInChI=1S/C13H25O2Si.3CH3.Sn/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14;;;;/h9,11H,6,8,10,12H2,1-5H3;3*1H3;
InChIKeyNERBPPZYQLJEAP-UHFFFAOYSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.24
LogP ≤ 55.18
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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Frequently Asked Questions

What is the IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal?
The IUPAC name of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal (CID 14591868) is (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal.
What is the SMILES notation for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal?
The canonical SMILES for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal is CC(C)(C)[Si](C)(C)OCCCC/C(=C/C=O)[Sn](C)(C)C.
What is the InChIKey of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal?
The InChIKey is NERBPPZYQLJEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25O2Si.3CH3.Sn/c1-13(2,3)16(4,5)15-12-10-8-6-7-9-11-14;;;;/h9,11H,6,8,10,12H2,1-5H3;3*1H3;.
What are the key properties of (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal?
(Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal has a molecular weight of 405.24 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[tert-butyl(dimethyl)silyl]oxy-3-trimethylstannylhept-2-enal is sourced from PubChem (CID 14591868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).