6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid

C11H20O4 — CID 174901401

IUPAC6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid
SMILESCC1COC(C)(CCCCCC(=O)O)O1
InChIInChI=1S/C11H20O4/c1-9-8-14-11(2,15-9)7-5-3-4-6-10(12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyNMZGRFXTYWZLIJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.17
Rot. Bonds6

About 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid

6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid (PubChem CID 174901401) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid
PubChem CID174901401
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid
SMILESCC1COC(C)(CCCCCC(=O)O)O1
InChIInChI=1S/C11H20O4/c1-9-8-14-11(2,15-9)7-5-3-4-6-10(12)13/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyNMZGRFXTYWZLIJ-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

docosanoic acid;2-methyloxirane
CID 159912767
dodecanoic acid;2-methyloxirane;oxirane
CID 6453615
6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-oxohexanoic acid
CID 107388938
2,4-dimethyl-1,3-dioxolane-2-carboxylic acid;hydrofluoride
CID 146547924
butanedioic acid;2-methyloxirane
CID 87390185
12-(2-nonyl-1,3-dioxolan-2-yl)dodecanoic acid
CID 123235392
[(2S,4S)-2-methyl-2-nonyl-1,3-dioxolan-4-yl]methyl carbamate
CID 76959250
methanol;tridecanedioic acid
CID 175511493
hexanedioic acid;propan-2-one
CID 158520683
11-(3-methyl-3-bicyclo[3.2.1]octanyl)undecanoic acid
CID 164916524
(2-methyl-2-tridecyl-1,3-dioxolan-4-yl)methanol
CID 58883730
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid?
The IUPAC name of 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid (CID 174901401) is 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid.
What is the SMILES notation for 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid?
The canonical SMILES for 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid is CC1COC(C)(CCCCCC(=O)O)O1.
What is the InChIKey of 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid?
The InChIKey is NMZGRFXTYWZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-9-8-14-11(2,15-9)7-5-3-4-6-10(12)13/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid?
6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethyl-1,3-dioxolan-2-yl)hexanoic acid is sourced from PubChem (CID 174901401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).