(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid

C11H18O2 — CID 118422918

IUPAC(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
SMILESCCC(CC)C[C@@H]1C=C(C(=O)O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQOZHUDVCGZIXOV-SECBINFHSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds5

About (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid

(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid (PubChem CID 118422918) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
PubChem CID118422918
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
SMILESCCC(CC)C[C@@H]1C=C(C(=O)O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQOZHUDVCGZIXOV-SECBINFHSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The IUPAC name of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid (CID 118422918) is (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The canonical SMILES for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid is CCC(CC)C[C@@H]1C=C(C(=O)O)C1.
What is the InChIKey of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The InChIKey is QOZHUDVCGZIXOV-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid is sourced from PubChem (CID 118422918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).