(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol

C19H42O4Si — CID 57326346

IUPAC(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
SMILESCCCCC[C@@H](C[C@H](CCCO)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H42O4Si/c1-8-9-10-12-17(22-16-21-5)15-18(13-11-14-20)23-24(6,7)19(2,3)4/h17-18,20H,8-16H2,1-7H3/t17-,18-/m0/s1
InChIKeyVOCMJQDPRNHZCK-ROUUACIJSA-N
MW362.63 g/mol
LogP5.11
Rot. Bonds14

About (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol

(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol (PubChem CID 57326346) has the molecular formula C19H42O4Si and a molecular weight of 362.63 g/mol. Its IUPAC name is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol.

Molecular Properties

Compound Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
PubChem CID57326346
Molecular FormulaC19H42O4Si
Molecular Weight362.63 g/mol
Exact Mass362.29
IUPAC Name(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
SMILESCCCCC[C@@H](C[C@H](CCCO)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C19H42O4Si/c1-8-9-10-12-17(22-16-21-5)15-18(13-11-14-20)23-24(6,7)19(2,3)4/h17-18,20H,8-16H2,1-7H3/t17-,18-/m0/s1
InChIKeyVOCMJQDPRNHZCK-ROUUACIJSA-N
XLogP5.11
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 55.11
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'}

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Related Compounds

(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
(1R)-1-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 44515761
(2R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octan-2-ol
CID 101928703
(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol
CID 135015254
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
CID 135016309
[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 135021412
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol
CID 138967167
(2S,11S,12R)-12-[tert-butyl(dimethyl)silyl]oxy-2,11-bis(methoxymethoxy)tridecan-1-ol
CID 155935155
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol
CID 58429873
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-5-hexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 68320191
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol
CID 89898344
1-[Tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol
CID 140750199

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol?
The IUPAC name of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol (CID 57326346) is (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol.
What is the SMILES notation for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol?
The canonical SMILES for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol is CCCCC[C@@H](C[C@H](CCCO)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol?
The InChIKey is VOCMJQDPRNHZCK-ROUUACIJSA-N. The full InChI is InChI=1S/C19H42O4Si/c1-8-9-10-12-17(22-16-21-5)15-18(13-11-14-20)23-24(6,7)19(2,3)4/h17-18,20H,8-16H2,1-7H3/t17-,18-/m0/s1.
What are the key properties of (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol?
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol has a molecular weight of 362.63 g/mol, XLogP of 5.11, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol is sourced from PubChem (CID 57326346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).