2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid

C10H18O4 — CID 18716201

IUPAC2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
SMILESCCC1CC(CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGQFNFMHVCUYRRW-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.78
Rot. Bonds3

About 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid

2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid (PubChem CID 18716201) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
PubChem CID18716201
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid
SMILESCCC1CC(CC(=O)O)OC(C)(C)O1
InChIInChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12)
InChIKeyGQFNFMHVCUYRRW-UHFFFAOYSA-N
XLogP1.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(4-hydroxyoxan-2-yl)acetate
CID 137944546
(4S,6S)-6-[(1S,2R)-1,2-Dihydroxybutyl]-4-hydroxy-4-methoxytetrahydro-2H-pyran-2-one
CID 132525535
Passifloricin C
CID 10553462
Passifloricin B
CID 10575881
Cryptocaryolone
CID 11265046
(3R)-7-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoic acid
CID 132282310
(3S,6R)-6-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxyheptanoic acid
CID 132282383
(5R,7R,9R)-7,9-dihydroxy-5-decanolide
CID 132501453
(4R,6R)-4-hydroxy-6-[(2R,4S,6S)-2,4,6-trihydroxyhenicosyl]oxan-2-one
CID 162864242
(4S,6S)-4-hydroxy-6-[(2S)-2-hydroxypropyl]oxan-2-one
CID 162962204
[(2R,4S,6S)-4,6-dihydroxy-1-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]henicosan-2-yl] acetate
CID 163037230
(1R,5S,7R)-7-[(2S,4S)-2,4-dihydroxypentyl]-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 163067647

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid?
The IUPAC name of 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid (CID 18716201) is 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid.
What is the SMILES notation for 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid?
The canonical SMILES for 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid is CCC1CC(CC(=O)O)OC(C)(C)O1.
What is the InChIKey of 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid?
The InChIKey is GQFNFMHVCUYRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-7-5-8(6-9(11)12)14-10(2,3)13-7/h7-8H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid?
2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid has a molecular weight of 202.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2,2-dimethyl-1,3-dioxan-4-yl)acetic acid is sourced from PubChem (CID 18716201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).