(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol

C18H40O3Si — CID 24776624

IUPAC(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
SMILESCCC[C@H](O)C[C@H](C[C@H](C)CCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C18H40O3Si/c1-9-10-16(19)14-17(20-6)13-15(2)11-12-21-22(7,8)18(3,4)5/h15-17,19H,9-14H2,1-8H3/t15-,16+,17+/m1/s1
InChIKeyITYADYJESYFNPA-IKGGRYGDSA-N
MW332.60 g/mol
LogP4.99
Rot. Bonds11

About (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol

(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol (PubChem CID 24776624) has the molecular formula C18H40O3Si and a molecular weight of 332.60 g/mol. Its IUPAC name is (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol.

Molecular Properties

Compound Name(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
PubChem CID24776624
Molecular FormulaC18H40O3Si
Molecular Weight332.60 g/mol
Exact Mass332.27
IUPAC Name(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol
SMILESCCC[C@H](O)C[C@H](C[C@H](C)CCO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C18H40O3Si/c1-9-10-16(19)14-17(20-6)13-15(2)11-12-21-22(7,8)18(3,4)5/h15-17,19H,9-14H2,1-8H3/t15-,16+,17+/m1/s1
InChIKeyITYADYJESYFNPA-IKGGRYGDSA-N
XLogP4.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.60
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
cis-(1R,2R)-1-(4-hydroxybutyl)-2-[2-tri(propan-2-yl)silyloxyethyl]cyclopropan-1-ol
CID 10903647
(2S,3S,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylheptane-1,5-diol
CID 11437755
(2S,3S,4S)-2-methyl-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pentane-1,3-diol
CID 11750793
(2S,3S,4R,5S)-2-[tert-butyl(dimethyl)silyl]oxy-4,7-dimethyloctane-3,5-diol
CID 12020419
(4R,6R,8S,10S)-8-methoxy-6-methyl-1-trimethylsilyltridec-1-yne-4,10-diol
CID 44477845
(6R,12R)-12-[tert-butyl(dimethyl)silyl]oxy-13-methyltetradecan-6-ol
CID 101202761
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(5s,7s,9r)-9,13,13,14,14-Pentamethyl-5-propyl-2,4,12-trioxa-13-silapentadecan-7-ol
CID 129747827
(5S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-2,5,8-trimethylnonan-2-ol
CID 132501473
(4R,6R,7R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnonane-3,7-diol
CID 134838175
(2R,4S,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylheptan-1-ol
CID 134845348

Frequently Asked Questions

What is the IUPAC name of (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol?
The IUPAC name of (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol (CID 24776624) is (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol.
What is the SMILES notation for (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol?
The canonical SMILES for (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol is CCC[C@H](O)C[C@H](C[C@H](C)CCO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol?
The InChIKey is ITYADYJESYFNPA-IKGGRYGDSA-N. The full InChI is InChI=1S/C18H40O3Si/c1-9-10-16(19)14-17(20-6)13-15(2)11-12-21-22(7,8)18(3,4)5/h15-17,19H,9-14H2,1-8H3/t15-,16+,17+/m1/s1.
What are the key properties of (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol?
(4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol has a molecular weight of 332.60 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S,8R)-10-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-8-methyldecan-4-ol is sourced from PubChem (CID 24776624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).