(2R,6R)-6-ethyloxane-2-carboxylic acid

C8H14O3 — CID 10261352

IUPAC(2R,6R)-6-ethyloxane-2-carboxylic acid
SMILESCC[C@@H]1CCC[C@H](C(=O)O)O1
InChIInChI=1S/C8H14O3/c1-2-6-4-3-5-7(11-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyLINKYOCPNSQJOA-RNFRBKRXSA-N
MW158.20 g/mol
LogP1.42
Rot. Bonds2

About (2R,6R)-6-ethyloxane-2-carboxylic acid

(2R,6R)-6-ethyloxane-2-carboxylic acid (PubChem CID 10261352) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R,6R)-6-ethyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6R)-6-ethyloxane-2-carboxylic acid
PubChem CID10261352
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2R,6R)-6-ethyloxane-2-carboxylic acid
SMILESCC[C@@H]1CCC[C@H](C(=O)O)O1
InChIInChI=1S/C8H14O3/c1-2-6-4-3-5-7(11-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1
InChIKeyLINKYOCPNSQJOA-RNFRBKRXSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-6-ethyloxane-2-carboxylic acid?
The IUPAC name of (2R,6R)-6-ethyloxane-2-carboxylic acid (CID 10261352) is (2R,6R)-6-ethyloxane-2-carboxylic acid.
What is the SMILES notation for (2R,6R)-6-ethyloxane-2-carboxylic acid?
The canonical SMILES for (2R,6R)-6-ethyloxane-2-carboxylic acid is CC[C@@H]1CCC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,6R)-6-ethyloxane-2-carboxylic acid?
The InChIKey is LINKYOCPNSQJOA-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-6-4-3-5-7(11-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7-/m1/s1.
What are the key properties of (2R,6R)-6-ethyloxane-2-carboxylic acid?
(2R,6R)-6-ethyloxane-2-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-6-ethyloxane-2-carboxylic acid is sourced from PubChem (CID 10261352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).