(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal

C18H34O4Si — CID 138979141

IUPAC(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
SMILESC[C@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C=O
InChIInChI=1S/C18H34O4Si/c1-15(20)11-8-7-9-13-17(16(21)12-10-14-19)22-23(5,6)18(2,3)4/h10,12,14-15,17,20H,7-9,11,13H2,1-6H3/b12-10-/t15-,17+/m0/s1
InChIKeyRTPMDUFJUSOFIQ-PIFBBDKHSA-N
MW342.55 g/mol
LogP4.03
Rot. Bonds11

About (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal

(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal (PubChem CID 138979141) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal.

Molecular Properties

Compound Name(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
PubChem CID138979141
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
SMILESC[C@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C=O
InChIInChI=1S/C18H34O4Si/c1-15(20)11-8-7-9-13-17(16(21)12-10-14-19)22-23(5,6)18(2,3)4/h10,12,14-15,17,20H,7-9,11,13H2,1-6H3/b12-10-/t15-,17+/m0/s1
InChIKeyRTPMDUFJUSOFIQ-PIFBBDKHSA-N
XLogP4.03
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal
CID 71514606
(E,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-oxodec-2-enal
CID 102100733
(E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxohexadec-2-enal
CID 138979140
(E)-1-[2-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]cyclohexen-1-yl]non-2-en-1-one
CID 10598346
(12Z,15Z)-9-[tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoic acid
CID 11774600
9-[Tert-butyl(dimethyl)silyl]oxy-10-oxooctadeca-12,15-dienoic acid
CID 73096257
(E)-13-[tert-butyl-(2,2-dimethylpropyl)-methylsilyl]oxy-9-oxooctadec-10-enoic acid
CID 140467617
2-[Tert-butyl(dimethyl)silyl]oxyheptadeca-12,16-dienal
CID 140499522
5-[Butoxy-ethyl-(3-hydroxypropyl)silyl]oxyoct-2-en-4-one
CID 141107013
5-[Butoxy-(3-hydroxypropyl)-methylsilyl]oxyoct-2-en-4-one
CID 141107019
(E)-2-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-9-hydroxynon-2-enal
CID 173687087
(5E)-5-[(Z,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-5-enylidene]-3-(2-hydroxyethyl)cyclopent-2-en-1-one
CID 173714289

Frequently Asked Questions

What is the IUPAC name of (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal?
The IUPAC name of (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal (CID 138979141) is (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal.
What is the SMILES notation for (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal?
The canonical SMILES for (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal is C[C@H](O)CCCCC[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)/C=C\C=O.
What is the InChIKey of (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal?
The InChIKey is RTPMDUFJUSOFIQ-PIFBBDKHSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-15(20)11-8-7-9-13-17(16(21)12-10-14-19)22-23(5,6)18(2,3)4/h10,12,14-15,17,20H,7-9,11,13H2,1-6H3/b12-10-/t15-,17+/m0/s1.
What are the key properties of (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal?
(Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal has a molecular weight of 342.55 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R,11S)-5-[tert-butyl(dimethyl)silyl]oxy-11-hydroxy-4-oxododec-2-enal is sourced from PubChem (CID 138979141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).