(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid

C19H36O5Si — CID 70399511

IUPAC(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
SMILESCC1(CO[Si](C)(C)C(C)(C)C)OCC(C/C=C\CCCC(=O)O)CO1
InChIInChI=1S/C19H36O5Si/c1-18(2,3)25(5,6)24-15-19(4)22-13-16(14-23-19)11-9-7-8-10-12-17(20)21/h7,9,16H,8,10-15H2,1-6H3,(H,20,21)/b9-7-
InChIKeyLCCSQXXRKFDQPH-CLFYSBASSA-N
MW372.58 g/mol
LogP4.59
Rot. Bonds9

About (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid

(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid (PubChem CID 70399511) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid.

Molecular Properties

Compound Name(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
PubChem CID70399511
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid
SMILESCC1(CO[Si](C)(C)C(C)(C)C)OCC(C/C=C\CCCC(=O)O)CO1
InChIInChI=1S/C19H36O5Si/c1-18(2,3)25(5,6)24-15-19(4)22-13-16(14-23-19)11-9-7-8-10-12-17(20)21/h7,9,16H,8,10-15H2,1-6H3,(H,20,21)/b9-7-
InChIKeyLCCSQXXRKFDQPH-CLFYSBASSA-N
XLogP4.59
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.59
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'}

Analyze (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl (Z)-7-[2-[[dimethyl(2-methylpropyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoate
CID 70399185
(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 67771496
(Z)-6-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]hex-5-enoic acid
CID 11109786
15-[tert-butyl(dimethyl)silyl]oxy-9-oxopentadecanoic acid
CID 168962220
(Z)-9-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3-(oxan-2-yloxy)cyclopentyl]non-7-enoic acid
CID 59958215
(Z)-7-[(1R,2R,3R,5S)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-4-[tert-butyl(dimethyl)silyl]oxy-4-(1-ethylcyclobutyl)but-1-enyl]cyclopentyl]hept-5-enoic acid
CID 70273382
(Z)-7-[4-(2-hydroxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]hept-5-enoic acid
CID 10246279
7-[(3R,4R)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)thiolan-3-yl]hept-5-enoic acid
CID 54352066
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
8-[(4S,5R)-4-(2-methoxyphenyl)-2,2-dimethyl-1,3-dioxan-5-yl]oct-6-enoic acid
CID 54038000
7-[(3R,4S)-4-(pent-2-enoxymethyl)oxolan-3-yl]hept-5-enoic acid
CID 54555946
(Z)-7-[(3R,4S)-4-(phenoxymethyl)oxolan-3-yl]hept-5-enoic acid
CID 70488027

Frequently Asked Questions

What is the IUPAC name of (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The IUPAC name of (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid (CID 70399511) is (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid.
What is the SMILES notation for (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The canonical SMILES for (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid is CC1(CO[Si](C)(C)C(C)(C)C)OCC(C/C=C\CCCC(=O)O)CO1.
What is the InChIKey of (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid?
The InChIKey is LCCSQXXRKFDQPH-CLFYSBASSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-18(2,3)25(5,6)24-15-19(4)22-13-16(14-23-19)11-9-7-8-10-12-17(20)21/h7,9,16H,8,10-15H2,1-6H3,(H,20,21)/b9-7-.
What are the key properties of (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid?
(Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid has a molecular weight of 372.58 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-1,3-dioxan-5-yl]hept-5-enoic acid is sourced from PubChem (CID 70399511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).