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

C14H28O2Si — CID 10015300

IUPAC(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol
SMILESCCCCCC/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/h10-15H,5-9H2,1-4H3/b11-10+/t12-,13+,14+/m1/s1
InChIKeyKGUNWMMKTFWHKX-CSWURLRASA-N
MW256.46 g/mol
LogP3.52
Rot. Bonds8

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

(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol (PubChem CID 10015300) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol.

Molecular Properties

Compound Name(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol
PubChem CID10015300
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol
SMILESCCCCCC/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/h10-15H,5-9H2,1-4H3/b11-10+/t12-,13+,14+/m1/s1
InChIKeyKGUNWMMKTFWHKX-CSWURLRASA-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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Related Compounds

(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
(E)-1-[(2R,3S)-3-octyl-2-trimethylsilyloxiran-2-yl]but-2-en-1-ol
CID 134901060
(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
1-(Oxiran-2-yl)tridec-2-en-1-ol
CID 53838585
(E,1S)-1-[(2R,3S)-3-methyloxiran-2-yl]non-2-en-1-ol
CID 10488196
(E,1S)-1-[(2R,3S)-3-methyloxiran-2-yl]hept-2-en-1-ol
CID 10630996
(1S,2S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-ol
CID 10705354
(Z,1R)-1-[(2S,3R)-3-methyloxiran-2-yl]non-2-en-1-ol
CID 10774346

Frequently Asked Questions

What is the IUPAC name of (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol?
The IUPAC name of (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol (CID 10015300) is (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol.
What is the SMILES notation for (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol?
The canonical SMILES for (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol is CCCCCC/C=C/[C@@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol?
The InChIKey is KGUNWMMKTFWHKX-CSWURLRASA-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/h10-15H,5-9H2,1-4H3/b11-10+/t12-,13+,14+/m1/s1.
What are the key properties of (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol?
(E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-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 (E,1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]non-2-en-1-ol is sourced from PubChem (CID 10015300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).