5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol

C20H38O3Si — CID 68708119

IUPAC5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3
InChIKeyRBGHOPYPKNGNME-UHFFFAOYSA-N
MW354.61 g/mol
LogP5.08
Rot. Bonds9

About 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol

5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol (PubChem CID 68708119) has the molecular formula C20H38O3Si and a molecular weight of 354.61 g/mol. Its IUPAC name is 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol.

Molecular Properties

Compound Name5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
PubChem CID68708119
Molecular FormulaC20H38O3Si
Molecular Weight354.61 g/mol
Exact Mass354.26
IUPAC Name5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol
SMILESC=C(CO)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3
InChIKeyRBGHOPYPKNGNME-UHFFFAOYSA-N
XLogP5.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(2R,3S,6S)-6-[(E,2R)-2-[tert-butyl(dimethyl)silyl]oxy-6-methylhept-3-enyl]-3-methyloxan-2-yl]ethanol
CID 11292059
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,4S)-4-[(2S,3S,6S)-3-methyl-6-[(2R)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxan-2-yl]pent-2-en-1-ol
CID 16680394
(E,4S,5S,6S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-2-ene-4,6-diol
CID 44604556
tert-butyl-[(E)-3-cyclohexyl-2-[(2S,3S,6R)-3-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]prop-2-enoxy]-dimethylsilane
CID 134900451
(Z,1S)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671236
(E,1R)-1-[(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl]but-2-en-1-ol
CID 164671237
[(3R)-2-butyl-3-[(E)-3-pentan-3-yloxyprop-1-enyl]cyclohexen-1-yl]oxy-triethylsilane
CID 176427863
2-Penten-1-ol, 5-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, methyl ester, (1alpha(Z),2beta)-
CID 6442548
2-Penten-1-ol, 5-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-, (1alpha(E),2beta)-
CID 6442586
2-Buten-1-ol, 4-(2-(((1,1-dimethylethyl)dimethylsilyl)oxy)cyclohexyl)-3-methyl-, (1alpha(E),2beta)-
CID 6442719
Cyclohexanemethanol, 2-(((1,1-dimethylethyl)dimethylsilyl)oxy)-alpha-1-propen-1-yl-
CID 6442723

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The IUPAC name of 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol (CID 68708119) is 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol.
What is the SMILES notation for 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The canonical SMILES for 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol is C=C(CO)CC(C)CC1CC=CC(CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
The InChIKey is RBGHOPYPKNGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3Si/c1-16(13-17(2)15-21)14-19-10-8-9-18(23-19)11-12-22-24(6,7)20(3,4)5/h8-9,16,18-19,21H,2,10-15H2,1,3-7H3.
What are the key properties of 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol?
5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol has a molecular weight of 354.61 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-2-yl]-4-methyl-2-methylidenepentan-1-ol is sourced from PubChem (CID 68708119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).