4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid

C10H18O5 — CID 103377682

IUPAC4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
SMILESCC1(C)CC(OCCO)(C(=O)O)CCO1
InChIInChI=1S/C10H18O5/c1-9(2)7-10(8(12)13,3-5-14-9)15-6-4-11/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyBEEZMCXYDGCTIA-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.41
Rot. Bonds4

About 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid

4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid (PubChem CID 103377682) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
PubChem CID103377682
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
SMILESCC1(C)CC(OCCO)(C(=O)O)CCO1
InChIInChI=1S/C10H18O5/c1-9(2)7-10(8(12)13,3-5-14-9)15-6-4-11/h11H,3-7H2,1-2H3,(H,12,13)
InChIKeyBEEZMCXYDGCTIA-UHFFFAOYSA-N
XLogP0.41
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
CID 83226715
1-(2-hydroxyethoxy)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 83224896
4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
CID 103377627
1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 83226491
4-ethoxyoxane-4-carboxylic acid
CID 78969464
2-ethyl-4-methoxy-2-methyloxane-4-carboxylic acid
CID 116769407
3-(2-hydroxyethoxy)-1,1-dioxothiane-3-carboxylic acid
CID 103377644
2-[[(3aR,6aR)-3a-methyl-3,6-dihydro-2H-cyclopenta[b]furan-6a-yl]oxy]ethanol
CID 15939131
2-[(4R)-4-butyl-2,2-dimethyloxan-4-yl]acetic acid
CID 97424908
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
2,2,5,5-tetramethyl-6-oxaspiro[2.5]octane-1-carboxylic acid
CID 130488312
ethyl 2-[(4S)-4-hydroxy-2,2-dimethyloxan-4-yl]acetate
CID 793360

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid (CID 103377682) is 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid is CC1(C)CC(OCCO)(C(=O)O)CCO1.
What is the InChIKey of 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid?
The InChIKey is BEEZMCXYDGCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-9(2)7-10(8(12)13,3-5-14-9)15-6-4-11/h11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid?
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid is sourced from PubChem (CID 103377682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).