(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol

C18H42O3Si2 — CID 87142131

IUPAC(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15?,16-/m0/s1
InChIKeyMWTJHRSUWJURCQ-LYKKTTPLSA-N
MW362.70 g/mol
LogP5.42
Rot. Bonds8

About (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol

(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol (PubChem CID 87142131) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
PubChem CID87142131
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Name(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
SMILESCC(CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15?,16-/m0/s1
InChIKeyMWTJHRSUWJURCQ-LYKKTTPLSA-N
XLogP5.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The IUPAC name of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol (CID 87142131) is (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol.
What is the SMILES notation for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The canonical SMILES for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol is CC(CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
The InChIKey is MWTJHRSUWJURCQ-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-15(14-20-22(8,9)17(2,3)4)16(12-13-19)21-23(10,11)18(5,6)7/h15-16,19H,12-14H2,1-11H3/t15?,16-/m0/s1.
What are the key properties of (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol?
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol has a molecular weight of 362.70 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol is sourced from PubChem (CID 87142131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).