(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid

C18H32O7Si — CID 11101162

IUPAC(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
SMILESCC(=O)OC(/C=C/C(C)(CCC(=O)O)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C18H32O7Si/c1-13(19)23-16(24-14(2)20)10-12-18(6,11-9-15(21)22)25-26(7,8)17(3,4)5/h10,12,16H,9,11H2,1-8H3,(H,21,22)/b12-10+
InChIKeyHSBBTBRHQZEQJM-ZRDIBKRKSA-N
MW388.53 g/mol
LogP3.64
Rot. Bonds9

About (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid

(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid (PubChem CID 11101162) has the molecular formula C18H32O7Si and a molecular weight of 388.53 g/mol. Its IUPAC name is (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid.

Molecular Properties

Compound Name(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
PubChem CID11101162
Molecular FormulaC18H32O7Si
Molecular Weight388.53 g/mol
Exact Mass388.19
IUPAC Name(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid
SMILESCC(=O)OC(/C=C/C(C)(CCC(=O)O)O[Si](C)(C)C(C)(C)C)OC(C)=O
InChIInChI=1S/C18H32O7Si/c1-13(19)23-16(24-14(2)20)10-12-18(6,11-9-15(21)22)25-26(7,8)17(3,4)5/h10,12,16H,9,11H2,1-8H3,(H,21,22)/b12-10+
InChIKeyHSBBTBRHQZEQJM-ZRDIBKRKSA-N
XLogP3.64
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
CID 154478737
[(2E,6E)-1-[tert-butyl(dimethyl)silyl]oxy-8-chloro-3,7-dimethylocta-2,6-dienyl] acetate
CID 132535606
[(Z)-1-acetyloxybut-2-enyl] acetate
CID 5363431
tert-butyl-dimethyl-[(5R,8S)-5-methyl-8-propan-2-yldodeca-1,6,11-trien-5-yl]oxysilane
CID 177408454
tert-butyl-(1-iodo-3-methylpent-1-en-3-yl)oxy-dimethylsilane
CID 173222661
[(3S,6S)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-3-yl] acetate
CID 11380641
(1-acetyloxy-3-silylprop-2-enyl) acetate
CID 154089356
(1-acetyloxy-4-oxopent-2-enyl) acetate
CID 173409185
3-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3,4-dimethylpent-1-en-3-yl]pentane-2,4-dione
CID 134956328
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
methyl (Z)-6-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-7-en-2-ynoate
CID 14903688

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid?
The IUPAC name of (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid (CID 11101162) is (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid.
What is the SMILES notation for (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid?
The canonical SMILES for (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid is CC(=O)OC(/C=C/C(C)(CCC(=O)O)O[Si](C)(C)C(C)(C)C)OC(C)=O.
What is the InChIKey of (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid?
The InChIKey is HSBBTBRHQZEQJM-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H32O7Si/c1-13(19)23-16(24-14(2)20)10-12-18(6,11-9-15(21)22)25-26(7,8)17(3,4)5/h10,12,16H,9,11H2,1-8H3,(H,21,22)/b12-10+.
What are the key properties of (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid?
(E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid has a molecular weight of 388.53 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-diacetyloxy-4-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-enoic acid is sourced from PubChem (CID 11101162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).