(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal

C15H26O2Si — CID 146161766

IUPAC(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal
SMILESC#C/C=C\[C@H](CCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h1,8,11,13-14H,9-10,12H2,2-6H3/b11-8-/t14-/m1/s1
InChIKeyIKQPHNLSOIXEDR-KOTGUFOOSA-N
MW266.46 g/mol
LogP3.94
Rot. Bonds7

About (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal

(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal (PubChem CID 146161766) has the molecular formula C15H26O2Si and a molecular weight of 266.46 g/mol. Its IUPAC name is (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal.

Molecular Properties

Compound Name(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal
PubChem CID146161766
Molecular FormulaC15H26O2Si
Molecular Weight266.46 g/mol
Exact Mass266.17
IUPAC Name(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal
SMILESC#C/C=C\[C@H](CCCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O2Si/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h1,8,11,13-14H,9-10,12H2,2-6H3/b11-8-/t14-/m1/s1
InChIKeyIKQPHNLSOIXEDR-KOTGUFOOSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.94
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal?
The IUPAC name of (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal (CID 146161766) is (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal.
What is the SMILES notation for (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal?
The canonical SMILES for (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal is C#C/C=C\[C@H](CCCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal?
The InChIKey is IKQPHNLSOIXEDR-KOTGUFOOSA-N. The full InChI is InChI=1S/C15H26O2Si/c1-7-8-11-14(12-9-10-13-16)17-18(5,6)15(2,3)4/h1,8,11,13-14H,9-10,12H2,2-6H3/b11-8-/t14-/m1/s1.
What are the key properties of (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal?
(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal has a molecular weight of 266.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5S)-5-[tert-butyl(dimethyl)silyl]oxynon-6-en-8-ynal is sourced from PubChem (CID 146161766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).