(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol

C17H34O4Si — CID 11121088

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol
SMILESC=CC[C@@](O)(COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-7-11-17(18,13-20-15-10-8-9-12-19-15)14-21-22(5,6)16(2,3)4/h7,15,18H,1,8-14H2,2-6H3/t15?,17-/m1/s1
InChIKeyBMVMPNDTRXHXLZ-OMOCHNIRSA-N
MW330.54 g/mol
LogP3.86
Rot. Bonds8

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol (PubChem CID 11121088) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol
PubChem CID11121088
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol
SMILESC=CC[C@@](O)(COC1CCCCO1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O4Si/c1-7-11-17(18,13-20-15-10-8-9-12-19-15)14-21-22(5,6)16(2,3)4/h7,15,18H,1,8-14H2,2-6H3/t15?,17-/m1/s1
InChIKeyBMVMPNDTRXHXLZ-OMOCHNIRSA-N
XLogP3.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
CID 10928713
(2S)-2-pent-4-enoxyoxane
CID 58779863
tert-butyl-dimethyl-[[(1R,2S,5S)-2-(oxan-2-yloxy)-5-prop-2-enylcyclopentyl]methoxy]silane
CID 18605962
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
CID 88913892
CID 88913892
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
(2S,3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(oxan-2-yloxy)-2-prop-2-enylcyclopentan-1-one
CID 18605961
1-[tert-butyl(dimethyl)silyl]oxy-3-[methyl(prop-2-enyl)amino]-2-[[methyl(prop-2-enyl)amino]methyl]propan-2-ol
CID 135019808
2-[(2E,4E)-6-(oxan-2-yloxy)hexa-2,4-dienoxy]oxane
CID 14026777
2-methyl-6-(oxan-2-yloxy)hexan-2-ol
CID 10727469
2-(4-methyloct-1-en-4-yloxy)oxane
CID 15877491

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol (CID 11121088) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol is C=CC[C@@](O)(COC1CCCCO1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol?
The InChIKey is BMVMPNDTRXHXLZ-OMOCHNIRSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-7-11-17(18,13-20-15-10-8-9-12-19-15)14-21-22(5,6)16(2,3)4/h7,15,18H,1,8-14H2,2-6H3/t15?,17-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol has a molecular weight of 330.54 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-2-(oxan-2-yloxymethyl)pent-4-en-2-ol is sourced from PubChem (CID 11121088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).