(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol

C19H40O4Si — CID 56838093

IUPAC(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)CCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-9-18(22-15-21-6)17(20)14-12-10-11-13-16(2)23-24(7,8)19(3,4)5/h9,16-18,20H,1,10-15H2,2-8H3/t16-,17-,18-/m0/s1
InChIKeyFLTQWLNANZMVBK-BZSNNMDCSA-N
MW360.61 g/mol
LogP4.88
Rot. Bonds13

About (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol

(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol (PubChem CID 56838093) has the molecular formula C19H40O4Si and a molecular weight of 360.61 g/mol. Its IUPAC name is (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
PubChem CID56838093
Molecular FormulaC19H40O4Si
Molecular Weight360.61 g/mol
Exact Mass360.27
IUPAC Name(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol
SMILESC=C[C@H](OCOC)[C@@H](O)CCCCC[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O4Si/c1-9-18(22-15-21-6)17(20)14-12-10-11-13-16(2)23-24(7,8)19(3,4)5/h9,16-18,20H,1,10-15H2,2-8H3/t16-,17-,18-/m0/s1
InChIKeyFLTQWLNANZMVBK-BZSNNMDCSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
(4S,5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)dodec-1-en-4-ol
CID 138967169
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-methoxyethoxymethoxy)hept-1-en-3-ol
CID 139252190
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-1-en-3-ol
CID 139252209
tert-butyl-dimethyl-[(2R,3S,12S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
CID 155935153
(3S,4S,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-4,13-bis(methoxymethoxy)pentadec-1-en-3-ol
CID 155935157
tert-butyl-dimethyl-[(2R,3S,12S,13S)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
CID 155935158
(3R,4S,13S,14R)-14-[tert-butyl(dimethyl)silyl]oxy-4,13-bis(methoxymethoxy)pentadec-1-en-3-ol
CID 155935159
tert-butyl-dimethyl-[(2R,3S,12S,13R)-3,12,13-tris(methoxymethoxy)pentadec-14-en-2-yl]oxysilane
CID 155935160
(4R,5R,6R,7S)-6-[tert-butyl(dimethyl)silyl]oxy-5,7-bis(methoxymethoxy)undec-1-en-4-ol
CID 11407516
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
CID 71492055

Frequently Asked Questions

What is the IUPAC name of (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol?
The IUPAC name of (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol (CID 56838093) is (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol.
What is the SMILES notation for (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol?
The canonical SMILES for (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol is C=C[C@H](OCOC)[C@@H](O)CCCCC[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol?
The InChIKey is FLTQWLNANZMVBK-BZSNNMDCSA-N. The full InChI is InChI=1S/C19H40O4Si/c1-9-18(22-15-21-6)17(20)14-12-10-11-13-16(2)23-24(7,8)19(3,4)5/h9,16-18,20H,1,10-15H2,2-8H3/t16-,17-,18-/m0/s1.
What are the key properties of (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol?
(3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol has a molecular weight of 360.61 g/mol, XLogP of 4.88, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,10S)-10-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)undec-1-en-4-ol is sourced from PubChem (CID 56838093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).