6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid

C11H20O4 — CID 67447583

IUPAC6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid
SMILESCC(CCCC(=O)O)C(C)C1OCCO1
InChIInChI=1S/C11H20O4/c1-8(4-3-5-10(12)13)9(2)11-14-6-7-15-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeySVLZLVCGNZMLNZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds6

About 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid

6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid (PubChem CID 67447583) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid.

Molecular Properties

Compound Name6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid
PubChem CID67447583
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid
SMILESCC(CCCC(=O)O)C(C)C1OCCO1
InChIInChI=1S/C11H20O4/c1-8(4-3-5-10(12)13)9(2)11-14-6-7-15-11/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeySVLZLVCGNZMLNZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid?
The IUPAC name of 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid (CID 67447583) is 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid.
What is the SMILES notation for 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid?
The canonical SMILES for 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid is CC(CCCC(=O)O)C(C)C1OCCO1.
What is the InChIKey of 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid?
The InChIKey is SVLZLVCGNZMLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-8(4-3-5-10(12)13)9(2)11-14-6-7-15-11/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid?
6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxolan-2-yl)-5-methylheptanoic acid is sourced from PubChem (CID 67447583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).