(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol

C11H22O2Si — CID 146161578

IUPAC(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
SMILESCC/C=C\C[C@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h6-7,9-12H,5,8H2,1-4H3/b7-6-/t9-,10+,11+/m0/s1
InChIKeyROCOZEVRNTYZJL-HYTBFLFESA-N
MW214.38 g/mol
LogP2.35
Rot. Bonds5

About (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol

(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol (PubChem CID 146161578) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
PubChem CID146161578
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Name(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
SMILESCC/C=C\C[C@H](O)[C@H]1O[C@@H]1[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h6-7,9-12H,5,8H2,1-4H3/b7-6-/t9-,10+,11+/m0/s1
InChIKeyROCOZEVRNTYZJL-HYTBFLFESA-N
XLogP2.35
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[(2R,3S)-3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
CID 141478985
(E,1R)-3-trimethylsilyl-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]prop-2-en-1-ol
CID 14185814
(E,1R)-1-[(2R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxiran-2-yl]but-2-en-1-ol
CID 44466532
2-(5-Diethylmethylsilyl-2-oxapent-4-enyl)-1,4-dioxane
CID 129798647
(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 138981692
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138982240
(Z,1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161480
(E,2R)-1-[(2R)-oxiran-2-yl]-6-trimethylsilylhex-4-en-2-ol
CID 154710790
[3-[(Z)-pent-2-enyl]oxiran-2-yl]methanol
CID 45120352
Tert-butyl-dimethyl-[1-(oxiran-2-yl)pent-3-enoxy]silane
CID 90685404

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol?
The IUPAC name of (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol (CID 146161578) is (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol is CC/C=C\C[C@H](O)[C@H]1O[C@@H]1[Si](C)(C)C.
What is the InChIKey of (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol?
The InChIKey is ROCOZEVRNTYZJL-HYTBFLFESA-N. The full InChI is InChI=1S/C11H22O2Si/c1-5-6-7-8-9(12)10-11(13-10)14(2,3)4/h6-7,9-12H,5,8H2,1-4H3/b7-6-/t9-,10+,11+/m0/s1.
What are the key properties of (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol?
(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol has a molecular weight of 214.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol is sourced from PubChem (CID 146161578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).