(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol

C14H26O2Si — CID 138982240

IUPAC(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
SMILESCC/C=C\C/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h6-7,9-10,12-15H,5,8,11H2,1-4H3/b7-6-,10-9-/t12-,13-,14-/m0/s1
InChIKeyQEWBGDIYQUZAMU-GPOIZFMISA-N
MW254.45 g/mol
LogP3.29
Rot. Bonds7

About (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol

(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol (PubChem CID 138982240) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol.

Molecular Properties

Compound Name(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
PubChem CID138982240
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Name(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
SMILESCC/C=C\C/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C
InChIInChI=1S/C14H26O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h6-7,9-10,12-15H,5,8,11H2,1-4H3/b7-6-,10-9-/t12-,13-,14-/m0/s1
InChIKeyQEWBGDIYQUZAMU-GPOIZFMISA-N
XLogP3.29
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 53.29
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'}

Analyze (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol with MolForge

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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
(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-[(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 (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol?
The IUPAC name of (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol (CID 138982240) is (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol.
What is the SMILES notation for (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol?
The canonical SMILES for (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol is CC/C=C\C/C=C\C[C@H](O)[C@@H]1O[C@H]1[Si](C)(C)C.
What is the InChIKey of (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol?
The InChIKey is QEWBGDIYQUZAMU-GPOIZFMISA-N. The full InChI is InChI=1S/C14H26O2Si/c1-5-6-7-8-9-10-11-12(15)13-14(16-13)17(2,3)4/h6-7,9-10,12-15H,5,8,11H2,1-4H3/b7-6-,10-9-/t12-,13-,14-/m0/s1.
What are the key properties of (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol?
(1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol has a molecular weight of 254.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3Z,6Z)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol is sourced from PubChem (CID 138982240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).