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

C14H28O2Si — CID 11054291

IUPAC(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol
SMILESCCCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3/b10-9-/t12-,13-,14-/m0/s1
InChIKeyLWQQDSSIGXCWGK-LZZFCSLCSA-N
MW256.46 g/mol
LogP3.52
Rot. Bonds8

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

(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol (PubChem CID 11054291) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol
PubChem CID11054291
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol
SMILESCCCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3/b10-9-/t12-,13-,14-/m0/s1
InChIKeyLWQQDSSIGXCWGK-LZZFCSLCSA-N
XLogP3.52
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(1S,2S,3S)-3-[hydroxy(dimethyl)silyl]cyclohex-4-ene-1,2-diol
CID 11830190
[(2S,3R)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
CID 134880986
[3-[(Z)-hex-3-enyl]oxiran-2-yl]methanol
CID 134889551
[(2S,3S)-3-[(E)-hex-3-enyl]oxiran-2-yl]methanol
CID 134896318
(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
(Z,1S)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]hex-3-en-1-ol
CID 146161578
(E,2R)-1-[(2R)-oxiran-2-yl]-6-trimethylsilylhex-4-en-2-ol
CID 154710790
3-Trimethylsilylcyclohex-4-ene-1,2-diol
CID 85279853

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol?
The IUPAC name of (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol (CID 11054291) is (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol is CCCCC/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol?
The InChIKey is LWQQDSSIGXCWGK-LZZFCSLCSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h9-10,12-15H,5-8,11H2,1-4H3/b10-9-/t12-,13-,14-/m0/s1.
What are the key properties of (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol?
(Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-3-en-1-ol is sourced from PubChem (CID 11054291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).