(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol

C21H46O3Si2 — CID 101489055

IUPAC(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
SMILESC=C(C[C@H](C)CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-17(13-18(2)15-22)14-19(24-26(11,12)21(6,7)8)16-23-25(9,10)20(3,4)5/h18-19,22H,1,13-16H2,2-12H3/t18-,19-/m0/s1
InChIKeyQYNPKBCPCVGXSE-OALUTQOASA-N
MW402.77 g/mol
LogP6.36
Rot. Bonds10

About (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol

(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol (PubChem CID 101489055) has the molecular formula C21H46O3Si2 and a molecular weight of 402.77 g/mol. Its IUPAC name is (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol.

Molecular Properties

Compound Name(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
PubChem CID101489055
Molecular FormulaC21H46O3Si2
Molecular Weight402.77 g/mol
Exact Mass402.30
IUPAC Name(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol
SMILESC=C(C[C@H](C)CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H46O3Si2/c1-17(13-18(2)15-22)14-19(24-26(11,12)21(6,7)8)16-23-25(9,10)20(3,4)5/h18-19,22H,1,13-16H2,2-12H3/t18-,19-/m0/s1
InChIKeyQYNPKBCPCVGXSE-OALUTQOASA-N
XLogP6.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.77
LogP ≤ 56.36
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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Related Compounds

(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropan-1-ol
CID 125487080
2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propoxy-hydroxy-oxophosphanium
CID 88611659
tert-butyl-[(2S)-2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoxy]-dimethylsilane
CID 25001970
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
tert-butyl-dimethyl-[(4R,8R)-8-methyl-6-methylidene-9-(phenylmethoxymethoxy)nonan-4-yl]oxysilane
CID 11531865
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
(2R,3S)-4-[tert-butyl(dimethyl)silyl]oxy-2-prop-1-en-2-ylbutane-1,3-diol
CID 10587455
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol?
The IUPAC name of (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol (CID 101489055) is (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol.
What is the SMILES notation for (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol?
The canonical SMILES for (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol is C=C(C[C@H](C)CO)C[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol?
The InChIKey is QYNPKBCPCVGXSE-OALUTQOASA-N. The full InChI is InChI=1S/C21H46O3Si2/c1-17(13-18(2)15-22)14-19(24-26(11,12)21(6,7)8)16-23-25(9,10)20(3,4)5/h18-19,22H,1,13-16H2,2-12H3/t18-,19-/m0/s1.
What are the key properties of (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol?
(2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol has a molecular weight of 402.77 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-4-methylideneheptan-1-ol is sourced from PubChem (CID 101489055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).