4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid

C11H20O5 — CID 103377627

IUPAC4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
SMILESCCCC1CC(OCCO)(C(=O)O)CCO1
InChIInChI=1S/C11H20O5/c1-2-3-9-8-11(10(13)14,4-6-15-9)16-7-5-12/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyMOXNZADGKNVWKE-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.80
Rot. Bonds6

About 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid

4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid (PubChem CID 103377627) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
PubChem CID103377627
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid
SMILESCCCC1CC(OCCO)(C(=O)O)CCO1
InChIInChI=1S/C11H20O5/c1-2-3-9-8-11(10(13)14,4-6-15-9)16-7-5-12/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyMOXNZADGKNVWKE-UHFFFAOYSA-N
XLogP0.80
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-2-propyloxan-4-yl]oxyethanol
CID 103376940
(5-propyl-6-oxaspiro[2.5]octan-2-yl)methanol
CID 81358520
1-(2-hydroxyethoxy)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 83226491
1-(2-hydroxyethoxy)cyclooctane-1-carboxylic acid
CID 83226715
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
CID 103377682
3-(4-hydroxy-2-propyloxan-4-yl)propanoic acid
CID 66322763
(2S,4R)-4-methyl-2-propyloxan-4-ol
CID 45083243
ethyl 2-(4-amino-2-propyloxan-4-yl)acetate
CID 79848209
2-[4-(dimethylamino)-2-propyloxan-4-yl]acetic acid
CID 64526984
1-(2-hydroxyethoxy)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 83224896
4-ethoxyoxane-4-carboxylic acid
CID 78969464
2-[4-(methylamino)-2-propyloxan-4-yl]acetamide
CID 65236924

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid?
The IUPAC name of 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid (CID 103377627) is 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid is CCCC1CC(OCCO)(C(=O)O)CCO1.
What is the InChIKey of 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid?
The InChIKey is MOXNZADGKNVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-2-3-9-8-11(10(13)14,4-6-15-9)16-7-5-12/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid?
4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-2-propyloxane-4-carboxylic acid is sourced from PubChem (CID 103377627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).