6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one

C8H10O2 — CID 57085205

IUPAC6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one
SMILESCCC1(O)C=CC=CC1=O
InChIInChI=1S/C8H10O2/c1-2-8(10)6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyMSDWBGFQVDHNFU-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds1

About 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one

6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 57085205) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one
PubChem CID57085205
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one
SMILESCCC1(O)C=CC=CC1=O
InChIInChI=1S/C8H10O2/c1-2-8(10)6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyMSDWBGFQVDHNFU-UHFFFAOYSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one (CID 57085205) is 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one is CCC1(O)C=CC=CC1=O.
What is the InChIKey of 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is MSDWBGFQVDHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-8(10)6-4-3-5-7(8)9/h3-6,10H,2H2,1H3.
What are the key properties of 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one?
6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 138.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-6-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 57085205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).