(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol

C29H45O3PSi — CID 58304689

IUPAC(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol
SMILESCCCC[C@H](CPOC)C(O)/C=C\C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45O3PSi/c1-7-8-17-25(23-33-31-6)28(30)22-15-16-24(2)32-34(29(3,4)5,26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-15,18-22,24-25,28,30,33H,7-8,16-17,23H2,1-6H3/b22-15-/t24-,25+,28?/m0/s1
InChIKeyUHMSCAQVMZNXRZ-GKEQOZQJSA-N
MW500.74 g/mol
LogP6.30
Rot. Bonds14

About (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol

(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol (PubChem CID 58304689) has the molecular formula C29H45O3PSi and a molecular weight of 500.74 g/mol. Its IUPAC name is (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol.

Molecular Properties

Compound Name(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol
PubChem CID58304689
Molecular FormulaC29H45O3PSi
Molecular Weight500.74 g/mol
Exact Mass500.29
IUPAC Name(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol
SMILESCCCC[C@H](CPOC)C(O)/C=C\C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H45O3PSi/c1-7-8-17-25(23-33-31-6)28(30)22-15-16-24(2)32-34(29(3,4)5,26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-15,18-22,24-25,28,30,33H,7-8,16-17,23H2,1-6H3/b22-15-/t24-,25+,28?/m0/s1
InChIKeyUHMSCAQVMZNXRZ-GKEQOZQJSA-N
XLogP6.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.74
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-yl] benzoate
CID 58304441
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(Z,4S,9R)-1-[tert-butyl(dimethyl)silyl]oxy-9-[tert-butyl(diphenyl)silyl]oxy-4-methyldec-6-en-5-ol
CID 58750459
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
[(1E,5S,7Z,10S)-1-(2-acetyl-3,5-dimethylphenyl)-10-[tert-butyl(diphenyl)silyl]oxy-5-(methoxyphosphanylmethyl)undeca-1,7-dien-6-yl] benzoate
CID 58304461
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
tert-butyl-[(2R,5S)-5-butylsulfanylhexan-2-yl]oxy-diphenylsilane
CID 134846418
(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
CID 56971432
tert-butyl-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486

Frequently Asked Questions

What is the IUPAC name of (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol?
The IUPAC name of (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol (CID 58304689) is (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol.
What is the SMILES notation for (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol?
The canonical SMILES for (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol is CCCC[C@H](CPOC)C(O)/C=C\C[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol?
The InChIKey is UHMSCAQVMZNXRZ-GKEQOZQJSA-N. The full InChI is InChI=1S/C29H45O3PSi/c1-7-8-17-25(23-33-31-6)28(30)22-15-16-24(2)32-34(29(3,4)5,26-18-11-9-12-19-26)27-20-13-10-14-21-27/h9-15,18-22,24-25,28,30,33H,7-8,16-17,23H2,1-6H3/b22-15-/t24-,25+,28?/m0/s1.
What are the key properties of (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol?
(Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol has a molecular weight of 500.74 g/mol, XLogP of 6.30, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,7S)-2-[tert-butyl(diphenyl)silyl]oxy-7-(methoxyphosphanylmethyl)undec-4-en-6-ol is sourced from PubChem (CID 58304689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).