(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol

C14H30O4Si — CID 23240821

IUPAC(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol
SMILESC=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@](C)(O)CO
InChIInChI=1S/C14H30O4Si/c1-7-12(2)13(14(3,16)10-15)18-11-17-8-9-19(4,5)6/h7,12-13,15-16H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1
InChIKeyHRFHPZWIVOGFJC-MELADBBJSA-N
MW290.48 g/mol
LogP2.25
Rot. Bonds10

About (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol

(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol (PubChem CID 23240821) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol
PubChem CID23240821
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Name(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol
SMILESC=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@](C)(O)CO
InChIInChI=1S/C14H30O4Si/c1-7-12(2)13(14(3,16)10-15)18-11-17-8-9-19(4,5)6/h7,12-13,15-16H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1
InChIKeyHRFHPZWIVOGFJC-MELADBBJSA-N
XLogP2.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

cis-(2S,4R)-2-ethenyl-4-(2-trimethylsilylethoxymethoxy)cyclobutan-1-ol
CID 134992962
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
(2R,3S)-3-methoxy-5-methyl-2-(2-trimethylsilylethoxymethoxy)hex-5-en-1-ol
CID 89102216
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
CID 10756934
(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
CID 10828375
(Z,2R,3S)-3-methyl-1-(2-trimethylsilylethoxymethoxy)hex-4-en-2-ol
CID 11843756
trimethyl-[2-[[(1S,2S)-2-methyl-1-[(2R)-2-methyloxiran-2-yl]but-3-enoxy]methoxy]ethyl]silane
CID 23240817
(2R,3R)-2-ethenyl-3-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol
CID 23257955
(Z,2S,3R,4S)-3-(methoxymethoxy)-2,4-dimethyl-6-trimethylsilylhept-5-en-1-ol
CID 25170041
[(2R,3R)-3-[(2R)-but-3-en-2-yl]-3-(2-methoxyethoxymethoxy)oxiran-2-yl]methanol
CID 95565719
(2R,3R,4R)-2-(2-methoxyethoxymethoxy)-4-methylhex-5-en-3-ol
CID 101871734
(2R,3S,4S)-2-(2-methoxyethoxymethoxy)-4-methylhex-5-en-3-ol
CID 101871736

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol?
The IUPAC name of (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol (CID 23240821) is (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol.
What is the SMILES notation for (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol?
The canonical SMILES for (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol is C=C[C@H](C)[C@H](OCOCC[Si](C)(C)C)[C@](C)(O)CO.
What is the InChIKey of (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol?
The InChIKey is HRFHPZWIVOGFJC-MELADBBJSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-7-12(2)13(14(3,16)10-15)18-11-17-8-9-19(4,5)6/h7,12-13,15-16H,1,8-11H2,2-6H3/t12-,13-,14+/m0/s1.
What are the key properties of (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol?
(2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol has a molecular weight of 290.48 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2,4-dimethyl-3-(2-trimethylsilylethoxymethoxy)hex-5-ene-1,2-diol is sourced from PubChem (CID 23240821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).