(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol

C12H26O3Si — CID 11791487

IUPAC(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
SMILESC=C[C@@H](OCOCC[Si](C)(C)C)[C@H](O)CC
InChIInChI=1S/C12H26O3Si/c1-6-11(13)12(7-2)15-10-14-8-9-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3/t11-,12-/m1/s1
InChIKeyLVSZAGJFKVYIPY-VXGBXAGGSA-N
MW246.42 g/mol
LogP2.64
Rot. Bonds9

About (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol

(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol (PubChem CID 11791487) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
PubChem CID11791487
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol
SMILESC=C[C@@H](OCOCC[Si](C)(C)C)[C@H](O)CC
InChIInChI=1S/C12H26O3Si/c1-6-11(13)12(7-2)15-10-14-8-9-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3/t11-,12-/m1/s1
InChIKeyLVSZAGJFKVYIPY-VXGBXAGGSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 52.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethoxy)hex-5-en-3-ol
CID 12916897
1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(3S)-2-methyl-3-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-4-ol
CID 134855216
(3R)-2-methyl-4-(2-trimethylsilylethoxymethoxy)-3,4-dihydro-2H-pyran-3-ol
CID 134971279
(Z,2S)-5-[(2R)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol
CID 10659966
(Z,2S)-5-[(2S)-oxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)pent-3-en-1-ol
CID 10802310
(1R,2S)-1-[(2R,3R)-3-methyloxiran-2-yl]-2-(2-trimethylsilylethoxymethoxy)but-3-en-1-ol
CID 10869506
(3S,4S,5E)-3-(2-trimethylsilylethoxymethoxy)hepta-1,5-dien-4-ol
CID 10890590
(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11064992
(3R,4S,5S)-4,5-bis(methoxymethoxy)hepta-1,6-dien-3-ol
CID 11195627
(3S,4S,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)hept-1-en-4-ol
CID 11709271
(4S,5S)-5-(methoxymethoxy)-2-trimethylsilyloct-1-en-4-ol
CID 21592703

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?
The IUPAC name of (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol (CID 11791487) is (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol.
What is the SMILES notation for (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?
The canonical SMILES for (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol is C=C[C@@H](OCOCC[Si](C)(C)C)[C@H](O)CC.
What is the InChIKey of (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?
The InChIKey is LVSZAGJFKVYIPY-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-6-11(13)12(7-2)15-10-14-8-9-16(3,4)5/h7,11-13H,2,6,8-10H2,1,3-5H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol?
(3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol has a molecular weight of 246.42 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-trimethylsilylethoxymethoxy)hex-5-en-3-ol is sourced from PubChem (CID 11791487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).