(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol

C12H26OSi — CID 24809451

IUPAC(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol
SMILESCCC/C=C/[C@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/b10-9+/t11-/m1/s1
InChIKeyFFAKHMBPRZTBLN-PBQZMEPESA-N
MW214.42 g/mol
LogP3.75
Rot. Bonds4

About (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol

(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol (PubChem CID 24809451) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol
PubChem CID24809451
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol
SMILESCCC/C=C/[C@H](O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/b10-9+/t11-/m1/s1
InChIKeyFFAKHMBPRZTBLN-PBQZMEPESA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

trans-2,cis-6-Nonadienol
CID 5362833
2,6-Nonadien-1-ol
CID 34134
Cucumber alcohol
CID 5320191
(2Z,6Z)-nona-2,6-dien-1-ol
CID 92450317
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
(2Z)-7-methylocta-2,6-dien-1-ol
CID 134976402
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
(Z)-2-trimethylsilylhept-2-en-1-ol
CID 11745353
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(E)-1-[tert-butyl(dimethyl)silyl]but-2-en-1-ol
CID 13289133
(E)-2-methyl-7-trimethylsilylhept-2-en-6-yn-1-ol
CID 134981587

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol?
The IUPAC name of (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol (CID 24809451) is (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol is CCC/C=C/[C@H](O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol?
The InChIKey is FFAKHMBPRZTBLN-PBQZMEPESA-N. The full InChI is InChI=1S/C12H26OSi/c1-7-8-9-10-11(13)14(5,6)12(2,3)4/h9-11,13H,7-8H2,1-6H3/b10-9+/t11-/m1/s1.
What are the key properties of (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol?
(E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol has a molecular weight of 214.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1R)-1-[tert-butyl(dimethyl)silyl]hex-2-en-1-ol is sourced from PubChem (CID 24809451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).