(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol

C10H22OSi — CID 10997760

IUPAC(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol
SMILESC[C@@H](O)[C@@H](C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(10(2)11)7-6-8-12(3,4)5/h6,8-11H,7H2,1-5H3/b8-6+/t9-,10+/m0/s1
InChIKeyJNHIYAWWKUNJLC-JSJQHLISSA-N
MW186.37 g/mol
LogP2.83
Rot. Bonds4

About (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol

(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol (PubChem CID 10997760) has the molecular formula C10H22OSi and a molecular weight of 186.37 g/mol. Its IUPAC name is (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol.

Molecular Properties

Compound Name(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol
PubChem CID10997760
Molecular FormulaC10H22OSi
Molecular Weight186.37 g/mol
Exact Mass186.14
IUPAC Name(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol
SMILESC[C@@H](O)[C@@H](C)C/C=C/[Si](C)(C)C
InChIInChI=1S/C10H22OSi/c1-9(10(2)11)7-6-8-12(3,4)5/h6,8-11H,7H2,1-5H3/b8-6+/t9-,10+/m0/s1
InChIKeyJNHIYAWWKUNJLC-JSJQHLISSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-6-trimethylsilylhex-5-en-3-ol
CID 13263808
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-5-en-2-ol
CID 138985053
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
2-(Trimethylsilylmethyl)pent-4-en-1-ol
CID 15248223
3-Ethyl-5-hexen-2-ol
CID 57027945
(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-2-ol
CID 158968667
(E)-6-trimethylsilylhex-5-en-3-ol
CID 10702355
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361
(2S,3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10868990
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-en-3-ol
CID 10967188

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol?
The IUPAC name of (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol (CID 10997760) is (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol.
What is the SMILES notation for (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol?
The canonical SMILES for (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol is C[C@@H](O)[C@@H](C)C/C=C/[Si](C)(C)C.
What is the InChIKey of (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol?
The InChIKey is JNHIYAWWKUNJLC-JSJQHLISSA-N. The full InChI is InChI=1S/C10H22OSi/c1-9(10(2)11)7-6-8-12(3,4)5/h6,8-11H,7H2,1-5H3/b8-6+/t9-,10+/m0/s1.
What are the key properties of (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol?
(E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol has a molecular weight of 186.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-3-methyl-6-trimethylsilylhex-5-en-2-ol is sourced from PubChem (CID 10997760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).