(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol

C22H46O3Si2 — CID 10597916

IUPAC(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol
SMILESC=CCC(CC=C)(C[C@@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,19,23H,1-2,15-18H2,3-12H3/t19-/m0/s1
InChIKeyHRPCYFSHFMLEDX-IBGZPJMESA-N
MW414.78 g/mol
LogP6.67
Rot. Bonds11

About (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol

(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol (PubChem CID 10597916) has the molecular formula C22H46O3Si2 and a molecular weight of 414.78 g/mol. Its IUPAC name is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol.

Molecular Properties

Compound Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol
PubChem CID10597916
Molecular FormulaC22H46O3Si2
Molecular Weight414.78 g/mol
Exact Mass414.30
IUPAC Name(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol
SMILESC=CCC(CC=C)(C[C@@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H46O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,19,23H,1-2,15-18H2,3-12H3/t19-/m0/s1
InChIKeyHRPCYFSHFMLEDX-IBGZPJMESA-N
XLogP6.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.78
LogP ≤ 56.67
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)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol?
The IUPAC name of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol (CID 10597916) is (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol.
What is the SMILES notation for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol?
The canonical SMILES for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol is C=CCC(CC=C)(C[C@@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol?
The InChIKey is HRPCYFSHFMLEDX-IBGZPJMESA-N. The full InChI is InChI=1S/C22H46O3Si2/c1-13-15-22(16-14-2,25-27(11,12)21(6,7)8)17-19(18-23)24-26(9,10)20(3,4)5/h13-14,19,23H,1-2,15-18H2,3-12H3/t19-/m0/s1.
What are the key properties of (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol?
(2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol has a molecular weight of 414.78 g/mol, XLogP of 6.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ol is sourced from PubChem (CID 10597916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).