(E)-3-trimethylsilyldodec-2-ene-1,4-diol

C15H32O2Si — CID 13382778

IUPAC(E)-3-trimethylsilyldodec-2-ene-1,4-diol
SMILESCCCCCCCCC(O)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-14(17)15(12-13-16)18(2,3)4/h12,14,16-17H,5-11,13H2,1-4H3/b15-12+
InChIKeyRAKFKXOWLCXRHT-NTCAYCPXSA-N
MW272.50 g/mol
LogP3.89
Rot. Bonds10

About (E)-3-trimethylsilyldodec-2-ene-1,4-diol

(E)-3-trimethylsilyldodec-2-ene-1,4-diol (PubChem CID 13382778) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (E)-3-trimethylsilyldodec-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-3-trimethylsilyldodec-2-ene-1,4-diol
PubChem CID13382778
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(E)-3-trimethylsilyldodec-2-ene-1,4-diol
SMILESCCCCCCCCC(O)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-14(17)15(12-13-16)18(2,3)4/h12,14,16-17H,5-11,13H2,1-4H3/b15-12+
InChIKeyRAKFKXOWLCXRHT-NTCAYCPXSA-N
XLogP3.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-octacos-10-ene-1,12-diol
CID 131752969
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(E)-1-(cyclohexen-1-yl)-3-trimethylsilylprop-2-en-1-ol
CID 12935867
10-Octacosene-1,12-diol
CID 86172609
(E)-dec-8-ene-1,7-diol
CID 101539948
(5R)-4-trimethylsilylundeca-2,3-dien-5-ol
CID 10514226
(1E)-1-[(2E)-2-hexylidenecyclohexylidene]-1-trimethylsilyldecan-2-ol
CID 10739293
(Z)-tridec-2-ene-1,4-diol
CID 11148598
2-(Trimethylsilyl)tridec-1-en-3-ol
CID 12425963
2-Trimethylsilylcyclohex-2-en-1-ol
CID 12632650
(E)-4-methyl-3-trimethylsilyldec-2-ene-1,4-diol
CID 13382779
(Z)-dec-2-ene-1,4-diol
CID 13440547

Frequently Asked Questions

What is the IUPAC name of (E)-3-trimethylsilyldodec-2-ene-1,4-diol?
The IUPAC name of (E)-3-trimethylsilyldodec-2-ene-1,4-diol (CID 13382778) is (E)-3-trimethylsilyldodec-2-ene-1,4-diol.
What is the SMILES notation for (E)-3-trimethylsilyldodec-2-ene-1,4-diol?
The canonical SMILES for (E)-3-trimethylsilyldodec-2-ene-1,4-diol is CCCCCCCCC(O)/C(=C\CO)[Si](C)(C)C.
What is the InChIKey of (E)-3-trimethylsilyldodec-2-ene-1,4-diol?
The InChIKey is RAKFKXOWLCXRHT-NTCAYCPXSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-5-6-7-8-9-10-11-14(17)15(12-13-16)18(2,3)4/h12,14,16-17H,5-11,13H2,1-4H3/b15-12+.
What are the key properties of (E)-3-trimethylsilyldodec-2-ene-1,4-diol?
(E)-3-trimethylsilyldodec-2-ene-1,4-diol has a molecular weight of 272.50 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-trimethylsilyldodec-2-ene-1,4-diol is sourced from PubChem (CID 13382778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).