(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol

C17H36O3Si — CID 11290064

IUPAC(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol
SMILESCCCCC[C@H](OCOC)[C@H](CO)C/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-8-9-10-17(20-14-19-3)16(12-18)11-15(2)13-21(4,5)6/h13,16-18H,7-12,14H2,1-6H3/b15-13+/t16-,17-/m0/s1
InChIKeyNGEZWAFFDFSECZ-LFUXOTAPSA-N
MW316.56 g/mol
LogP4.38
Rot. Bonds12

About (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol

(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol (PubChem CID 11290064) has the molecular formula C17H36O3Si and a molecular weight of 316.56 g/mol. Its IUPAC name is (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol.

Molecular Properties

Compound Name(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol
PubChem CID11290064
Molecular FormulaC17H36O3Si
Molecular Weight316.56 g/mol
Exact Mass316.24
IUPAC Name(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol
SMILESCCCCC[C@H](OCOC)[C@H](CO)C/C(C)=C/[Si](C)(C)C
InChIInChI=1S/C17H36O3Si/c1-7-8-9-10-17(20-14-19-3)16(12-18)11-15(2)13-21(4,5)6/h13,16-18H,7-12,14H2,1-6H3/b15-13+/t16-,17-/m0/s1
InChIKeyNGEZWAFFDFSECZ-LFUXOTAPSA-N
XLogP4.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol?
The IUPAC name of (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol (CID 11290064) is (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol.
What is the SMILES notation for (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol?
The canonical SMILES for (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol is CCCCC[C@H](OCOC)[C@H](CO)C/C(C)=C/[Si](C)(C)C.
What is the InChIKey of (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol?
The InChIKey is NGEZWAFFDFSECZ-LFUXOTAPSA-N. The full InChI is InChI=1S/C17H36O3Si/c1-7-8-9-10-17(20-14-19-3)16(12-18)11-15(2)13-21(4,5)6/h13,16-18H,7-12,14H2,1-6H3/b15-13+/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol?
(2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol has a molecular weight of 316.56 g/mol, XLogP of 4.38, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(methoxymethoxy)-2-[(E)-2-methyl-3-trimethylsilylprop-2-enyl]octan-1-ol is sourced from PubChem (CID 11290064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).