(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol

C15H32O4Si — CID 10828375

IUPAC(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
SMILESC=C[C@H](OCOC)[C@@H](O)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C15H32O4Si/c1-7-14(18-12-17-6)15(16)13(5)11-19-20(8-2,9-3)10-4/h7,13-16H,1,8-12H2,2-6H3/t13-,14-,15-/m0/s1
InChIKeyMTGMPHBVAHJMDO-KKUMJFAQSA-N
MW304.50 g/mol
LogP3.18
Rot. Bonds12

About (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol

(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol (PubChem CID 10828375) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
PubChem CID10828375
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol
SMILESC=C[C@H](OCOC)[C@@H](O)[C@@H](C)CO[Si](CC)(CC)CC
InChIInChI=1S/C15H32O4Si/c1-7-14(18-12-17-6)15(16)13(5)11-19-20(8-2,9-3)10-4/h7,13-16H,1,8-12H2,2-6H3/t13-,14-,15-/m0/s1
InChIKeyMTGMPHBVAHJMDO-KKUMJFAQSA-N
XLogP3.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol?
The IUPAC name of (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol (CID 10828375) is (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol.
What is the SMILES notation for (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol?
The canonical SMILES for (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol is C=C[C@H](OCOC)[C@@H](O)[C@@H](C)CO[Si](CC)(CC)CC.
What is the InChIKey of (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol?
The InChIKey is MTGMPHBVAHJMDO-KKUMJFAQSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-7-14(18-12-17-6)15(16)13(5)11-19-20(8-2,9-3)10-4/h7,13-16H,1,8-12H2,2-6H3/t13-,14-,15-/m0/s1.
What are the key properties of (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol?
(2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol has a molecular weight of 304.50 g/mol, XLogP of 3.18, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-(methoxymethoxy)-2-methyl-1-triethylsilyloxyhex-5-en-3-ol is sourced from PubChem (CID 10828375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).