ethane;3-hydroxy-4-methylcyclopent-3-en-1-one

C8H14O2 — CID 144684299

IUPACethane;3-hydroxy-4-methylcyclopent-3-en-1-one
SMILESCC.CC1=C(O)CC(=O)C1
InChIInChI=1S/C6H8O2.C2H6/c1-4-2-5(7)3-6(4)8;1-2/h8H,2-3H2,1H3;1-2H3
InChIKeyPGHHOHDUPPHSPV-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.21
Rot. Bonds

About ethane;3-hydroxy-4-methylcyclopent-3-en-1-one

ethane;3-hydroxy-4-methylcyclopent-3-en-1-one (PubChem CID 144684299) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethane;3-hydroxy-4-methylcyclopent-3-en-1-one.

Molecular Properties

Compound Nameethane;3-hydroxy-4-methylcyclopent-3-en-1-one
PubChem CID144684299
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethane;3-hydroxy-4-methylcyclopent-3-en-1-one
SMILESCC.CC1=C(O)CC(=O)C1
InChIInChI=1S/C6H8O2.C2H6/c1-4-2-5(7)3-6(4)8;1-2/h8H,2-3H2,1H3;1-2H3
InChIKeyPGHHOHDUPPHSPV-UHFFFAOYSA-N
XLogP2.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58489247
4-benzoyl-5-methylcyclohex-4-ene-1,3-dione
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CID 90860291
3,5-dimethylcyclopenta-2,5-diene-1,2-diol
CID 58446340
5-hydroxy-2,4-dimethylcyclohexa-2,4-dien-1-one
CID 170237622
2-propan-2-ylidenecyclohexane-1,3,5-trione
CID 89393505
ethane;2,5,7-trimethylcyclohepta-1,4,6-trien-1-ol
CID 143259643
3,4,5-tri(propan-2-ylidene)cyclohexan-1-one
CID 129040886
ethane;tricyclo[10.4.0.03,8]hexadeca-1(16),3,5,7,12,14-hexaen-10-one
CID 91439303
2-hydroxy-3-methylcycloprop-2-en-1-one
CID 59349696
cyclopropanone;propan-2-one
CID 68522509
(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
CID 58612496

Frequently Asked Questions

What is the IUPAC name of ethane;3-hydroxy-4-methylcyclopent-3-en-1-one?
The IUPAC name of ethane;3-hydroxy-4-methylcyclopent-3-en-1-one (CID 144684299) is ethane;3-hydroxy-4-methylcyclopent-3-en-1-one.
What is the SMILES notation for ethane;3-hydroxy-4-methylcyclopent-3-en-1-one?
The canonical SMILES for ethane;3-hydroxy-4-methylcyclopent-3-en-1-one is CC.CC1=C(O)CC(=O)C1.
What is the InChIKey of ethane;3-hydroxy-4-methylcyclopent-3-en-1-one?
The InChIKey is PGHHOHDUPPHSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.C2H6/c1-4-2-5(7)3-6(4)8;1-2/h8H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;3-hydroxy-4-methylcyclopent-3-en-1-one?
ethane;3-hydroxy-4-methylcyclopent-3-en-1-one has a molecular weight of 142.20 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hydroxy-4-methylcyclopent-3-en-1-one is sourced from PubChem (CID 144684299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).