(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol

C23H40O3Si — CID 53387980

IUPAC(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
SMILESC[C@H](CC/C=C\C[C@H](O)[C@H](C)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-19(26-27(6,7)23(3,4)5)14-10-8-13-17-22(24)20(2)25-18-21-15-11-9-12-16-21/h8-9,11-13,15-16,19-20,22,24H,10,14,17-18H2,1-7H3/b13-8-/t19-,20+,22+/m1/s1
InChIKeySOYKZJHUCGAUNZ-HOAIDWIBSA-N
MW392.66 g/mol
LogP6.09
Rot. Bonds11

About (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol

(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol (PubChem CID 53387980) has the molecular formula C23H40O3Si and a molecular weight of 392.66 g/mol. Its IUPAC name is (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol.

Molecular Properties

Compound Name(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
PubChem CID53387980
Molecular FormulaC23H40O3Si
Molecular Weight392.66 g/mol
Exact Mass392.27
IUPAC Name(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
SMILESC[C@H](CC/C=C\C[C@H](O)[C@H](C)OCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O3Si/c1-19(26-27(6,7)23(3,4)5)14-10-8-13-17-22(24)20(2)25-18-21-15-11-9-12-16-21/h8-9,11-13,15-16,19-20,22,24H,10,14,17-18H2,1-7H3/b13-8-/t19-,20+,22+/m1/s1
InChIKeySOYKZJHUCGAUNZ-HOAIDWIBSA-N
XLogP6.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.66
LogP ≤ 56.09
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'}

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Related Compounds

(Z,2R,3R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol
CID 53388286
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
tert-butyl-dimethyl-[(3S,4S)-4-phenylmethoxypent-1-en-3-yl]oxysilane
CID 138976638
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,4S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylidene-7-phenylmethoxyoctan-4-ol
CID 101358520
tert-butyl-dimethyl-[(2S,3R)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333549
tert-butyl-dimethyl-[(2S,3S)-3-phenylmethoxypent-4-en-2-yl]oxysilane
CID 73333550
(2S,3S,7S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,7-bis(phenylmethoxy)undec-5-yn-4-one
CID 71479466
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(E,2S,3S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyhept-4-en-3-ol
CID 101339691
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351

Frequently Asked Questions

What is the IUPAC name of (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol?
The IUPAC name of (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol (CID 53387980) is (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol.
What is the SMILES notation for (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol?
The canonical SMILES for (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol is C[C@H](CC/C=C\C[C@H](O)[C@H](C)OCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol?
The InChIKey is SOYKZJHUCGAUNZ-HOAIDWIBSA-N. The full InChI is InChI=1S/C23H40O3Si/c1-19(26-27(6,7)23(3,4)5)14-10-8-13-17-22(24)20(2)25-18-21-15-11-9-12-16-21/h8-9,11-13,15-16,19-20,22,24H,10,14,17-18H2,1-7H3/b13-8-/t19-,20+,22+/m1/s1.
What are the key properties of (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol?
(Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol has a molecular weight of 392.66 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,3S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxydec-5-en-3-ol is sourced from PubChem (CID 53387980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).