(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(E)-3-methyl-6-triethylsilyloxyhex-2-enal
CID 101521914
(E)-7-(tert-butyldimethylsiloxy)-2-methylhept-2-enal
CID 11402629
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 11287978
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
(E)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 10468383
(Z)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 21678393
(E)-12-[tert-butyl(dimethyl)silyl]oxydodec-2-enal
CID 11278400
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
(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
7-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylhept-2-enal
CID 71358438

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).