2-cyclohexa-2,4-dien-1-ylacetic acid

C8H10O2 — CID 10942501

IUPAC2-cyclohexa-2,4-dien-1-ylacetic acid
SMILESO=C(O)CC1C=CC=CC1
InChIInChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2,(H,9,10)
InChIKeyYZDDXOCIOCPVMK-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.59
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-ylacetic acid

2-cyclohexa-2,4-dien-1-ylacetic acid (PubChem CID 10942501) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-ylacetic acid.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-ylacetic acid
PubChem CID10942501
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-cyclohexa-2,4-dien-1-ylacetic acid
SMILESO=C(O)CC1C=CC=CC1
InChIInChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2,(H,9,10)
InChIKeyYZDDXOCIOCPVMK-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-ylacetic acid?
The IUPAC name of 2-cyclohexa-2,4-dien-1-ylacetic acid (CID 10942501) is 2-cyclohexa-2,4-dien-1-ylacetic acid.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-ylacetic acid?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-ylacetic acid is O=C(O)CC1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-ylacetic acid?
The InChIKey is YZDDXOCIOCPVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8(10)6-7-4-2-1-3-5-7/h1-4,7H,5-6H2,(H,9,10).
What are the key properties of 2-cyclohexa-2,4-dien-1-ylacetic acid?
2-cyclohexa-2,4-dien-1-ylacetic acid has a molecular weight of 138.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-ylacetic acid is sourced from PubChem (CID 10942501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).