(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol

C19H38O4Si — CID 59100012

IUPAC(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
SMILESCCCC/C=C\[C@H](O)[C@@H]1OC(C)(C)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-9-10-11-12-13-15(20)17-16(22-19(5,6)23-17)14-21-24(7,8)18(2,3)4/h12-13,15-17,20H,9-11,14H2,1-8H3/b13-12-/t15-,16?,17-/m0/s1
InChIKeyGIZHVVZVZIIJBS-HQQJDOMUSA-N
MW358.60 g/mol
LogP4.64
Rot. Bonds8

About (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol

(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol (PubChem CID 59100012) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol.

Molecular Properties

Compound Name(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
PubChem CID59100012
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Name(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol
SMILESCCCC/C=C\[C@H](O)[C@@H]1OC(C)(C)OC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-9-10-11-12-13-15(20)17-16(22-19(5,6)23-17)14-21-24(7,8)18(2,3)4/h12-13,15-17,20H,9-11,14H2,1-8H3/b13-12-/t15-,16?,17-/m0/s1
InChIKeyGIZHVVZVZIIJBS-HQQJDOMUSA-N
XLogP4.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol
CID 5471932
(E,1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-trimethylsilylprop-2-en-1-ol
CID 11100828
ethyl (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 13006406
[(4S,5S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 24777981
2-(tert-Butyl-dimethyl-silanyloxy)-7-methoxymethoxy-undec-4-en-6-ol (2)
CID 24864792
(4s,5s,6r,2z)-6,7-Bis[(t-butyldimethyl-silyl)oxy]-4,5-(isopropylidenedioxy)hept-2-en-1-ol
CID 56600291
(1S,4S,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-4-(methoxymethoxy)cyclohex-2-en-1-ol
CID 134836901
(E)-3-[(4R,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxyethoxymethoxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 134887319
[(4S)-5-[(Z,5S)-5-[tert-butyl(dimethyl)silyl]oxytetradec-6-en-1,3-diynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 134974568
8-[Tert-butyl(dimethyl)silyl]oxy-1,4-dioxaspiro[4.5]dec-8-en-7-ol
CID 135042829
2-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 138968266
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-6-(2-methyl-1,3-dioxolan-2-yl)hex-2-en-1-ol
CID 139252220

Frequently Asked Questions

What is the IUPAC name of (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The IUPAC name of (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol (CID 59100012) is (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol.
What is the SMILES notation for (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The canonical SMILES for (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol is CCCC/C=C\[C@H](O)[C@@H]1OC(C)(C)OC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
The InChIKey is GIZHVVZVZIIJBS-HQQJDOMUSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-9-10-11-12-13-15(20)17-16(22-19(5,6)23-17)14-21-24(7,8)18(2,3)4/h12-13,15-17,20H,9-11,14H2,1-8H3/b13-12-/t15-,16?,17-/m0/s1.
What are the key properties of (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol?
(Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol has a molecular weight of 358.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-[(4S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-2-en-1-ol is sourced from PubChem (CID 59100012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).