(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol

C15H32O4Si — CID 10756934

IUPAC(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-13(18-11-17-6)14(16)12(2)10-19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13+,14+/m0/s1
InChIKeyYLOZWUGZGWWFGS-BFHYXJOUSA-N
MW304.50 g/mol
LogP3.18
Rot. Bonds9

About (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol

(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol (PubChem CID 10756934) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
PubChem CID10756934
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol
SMILESC=C[C@@H](OCOC)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-13(18-11-17-6)14(16)12(2)10-19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13+,14+/m0/s1
InChIKeyYLOZWUGZGWWFGS-BFHYXJOUSA-N
XLogP3.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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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Launch Full Analysis

Related Compounds

1-tert-Butyldimethylsilanyloxy)-4-(2-methoxyethoxymethoxy)hex-5-en-3-ol
CID 46894690
(2S,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)hept-6-ene-2,3-diol
CID 135019078
1-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-ol
CID 135024857
(2S,3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
CID 11034571
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanol
CID 14188247
(2R,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(methoxymethoxy)hex-5-ene-1,2-diol
CID 57438882
(2R,3S,4S)-4-methoxy-3-(methoxymethoxy)-2-methylhex-5-en-1-ol
CID 57586749
(3S,4S)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
CID 71492055
(3S,4R)-7-[tert-butyl(dimethyl)silyl]oxy-3-(2-methoxyethoxymethoxy)hept-1-en-4-ol
CID 123553696
(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol
CID 164606419
(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-1,3,2-dioxasilinan-5-ol;(4R,5R)-2,2-ditert-butyl-4-[(1R)-1-(methoxymethoxy)prop-2-enyl]-5-methyl-1,3,2-dioxasilinane
CID 165077990
triethyl-[(2S,3S,4S)-3-methoxy-4-(methoxymethoxy)-2-methylhex-5-enoxy]silane
CID 10663386

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The IUPAC name of (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol (CID 10756934) is (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol.
What is the SMILES notation for (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The canonical SMILES for (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol is C=C[C@@H](OCOC)[C@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
The InChIKey is YLOZWUGZGWWFGS-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-9-13(18-11-17-6)14(16)12(2)10-19-20(7,8)15(3,4)5/h9,12-14,16H,1,10-11H2,2-8H3/t12-,13+,14+/m0/s1.
What are the key properties of (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol?
(2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol has a molecular weight of 304.50 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2-methylhex-5-en-3-ol is sourced from PubChem (CID 10756934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).