(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol

C19H42O3Si2 — CID 10619443

IUPAC(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-13-16(22-24(11,12)19(6,7)8)17(20)15(2)14-21-23(9,10)18(3,4)5/h13,15-17,20H,1,14H2,2-12H3/t15-,16-,17-/m0/s1
InChIKeyCYBGBUACUWLPKM-ULQDDVLXSA-N
MW374.71 g/mol
LogP5.58
Rot. Bonds8

About (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol

(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol (PubChem CID 10619443) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol
PubChem CID10619443
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-13-16(22-24(11,12)19(6,7)8)17(20)15(2)14-21-23(9,10)18(3,4)5/h13,15-17,20H,1,14H2,2-12H3/t15-,16-,17-/m0/s1
InChIKeyCYBGBUACUWLPKM-ULQDDVLXSA-N
XLogP5.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol?
The IUPAC name of (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol (CID 10619443) is (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol.
What is the SMILES notation for (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol?
The canonical SMILES for (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol is C=C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol?
The InChIKey is CYBGBUACUWLPKM-ULQDDVLXSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-13-16(22-24(11,12)19(6,7)8)17(20)15(2)14-21-23(9,10)18(3,4)5/h13,15-17,20H,1,14H2,2-12H3/t15-,16-,17-/m0/s1.
What are the key properties of (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol?
(2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol has a molecular weight of 374.71 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-5-en-3-ol is sourced from PubChem (CID 10619443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).