(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol

C17H38O2Si — CID 166449013

IUPAC(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol
SMILESCCCCC[C@H](CC[C@H](C)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h15-16,18H,8-14H2,1-7H3/t15-,16+/m0/s1
InChIKeyNZGGECQVWAHZME-JKSUJKDBSA-N
MW302.58 g/mol
LogP5.37
Rot. Bonds10

About (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol

(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol (PubChem CID 166449013) has the molecular formula C17H38O2Si and a molecular weight of 302.58 g/mol. Its IUPAC name is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol.

Molecular Properties

Compound Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol
PubChem CID166449013
Molecular FormulaC17H38O2Si
Molecular Weight302.58 g/mol
Exact Mass302.26
IUPAC Name(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol
SMILESCCCCC[C@H](CC[C@H](C)CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h15-16,18H,8-14H2,1-7H3/t15-,16+/m0/s1
InChIKeyNZGGECQVWAHZME-JKSUJKDBSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.58
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylheptan-2-ol
CID 154722508
7-[Tert-butyl(dimethyl)silyl]oxy-6,6-dimethylheptane-1,5-diol
CID 59012169
[4-[Tert-butyl(dimethyl)silyl]oxycyclohexyl]-(3-fluorocyclohexyl)methanol
CID 140449992
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445
Silane, diethyldodecyloxy(6-ethyloct-3-yloxy)-
CID 91744729
Silane, diethyl(6-ethyloct-3-yloxy)tridecyloxy-
CID 91744990
Silane, diethyl(6-ethyloct-3-yloxy)tetradecyloxy-
CID 91745182
Silane, diethyl(6-ethyloct-3-yloxy)pentadecyloxy-
CID 91745383
Silane, diethyl(6-ethyloct-3-yloxy)hexadecyloxy-
CID 91745523
Silane, diethyl(6-ethyloct-3-yloxy)heptadecyloxy-
CID 91745649
12-[Tert-butyl(dimethyl)silyl]oxydodecan-2-ol
CID 90302960

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol?
The IUPAC name of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol (CID 166449013) is (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol.
What is the SMILES notation for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol?
The canonical SMILES for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol is CCCCC[C@H](CC[C@H](C)CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol?
The InChIKey is NZGGECQVWAHZME-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H38O2Si/c1-8-9-10-11-16(13-12-15(2)14-18)19-20(6,7)17(3,4)5/h15-16,18H,8-14H2,1-7H3/t15-,16+/m0/s1.
What are the key properties of (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol?
(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol has a molecular weight of 302.58 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecan-1-ol is sourced from PubChem (CID 166449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).