6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid

C19H34O6 — CID 20692403

IUPAC6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C19H34O6/c1-10-18(7,14(22)24-9)12-19(8,11-17(5,6)13(20)21)15(23)25-16(2,3)4/h10-12H2,1-9H3,(H,20,21)
InChIKeyLAEOBKLXJVAWBZ-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.81
Rot. Bonds8

About 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid

6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid (PubChem CID 20692403) has the molecular formula C19H34O6 and a molecular weight of 358.48 g/mol. Its IUPAC name is 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid.

Molecular Properties

Compound Name6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
PubChem CID20692403
Molecular FormulaC19H34O6
Molecular Weight358.48 g/mol
Exact Mass358.24
IUPAC Name6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid
SMILESCCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC
InChIInChI=1S/C19H34O6/c1-10-18(7,14(22)24-9)12-19(8,11-17(5,6)13(20)21)15(23)25-16(2,3)4/h10-12H2,1-9H3,(H,20,21)
InChIKeyLAEOBKLXJVAWBZ-UHFFFAOYSA-N
XLogP3.81
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid?
The IUPAC name of 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid (CID 20692403) is 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid.
What is the SMILES notation for 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid?
The canonical SMILES for 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid is CCC(C)(CC(C)(CC(C)(C)C(=O)O)C(=O)OC(C)(C)C)C(=O)OC.
What is the InChIKey of 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid?
The InChIKey is LAEOBKLXJVAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O6/c1-10-18(7,14(22)24-9)12-19(8,11-17(5,6)13(20)21)15(23)25-16(2,3)4/h10-12H2,1-9H3,(H,20,21).
What are the key properties of 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid?
6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid has a molecular weight of 358.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxycarbonyl-2,2,4,6-tetramethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]octanoic acid is sourced from PubChem (CID 20692403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).