(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one

C12H18O2 — CID 101262476

IUPAC(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)/C(=C\C(C)(C)C)C1C
InChIInChI=1S/C12H18O2/c1-7-8(2)10(13)11(14)9(7)6-12(3,4)5/h6-7,13H,1-5H3/b9-6-
InChIKeyCSVCRTUEOGEHOI-TWGQIWQCSA-N
MW194.27 g/mol
LogP3.01
Rot. Bonds

About (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one

(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one (PubChem CID 101262476) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one
PubChem CID101262476
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)/C(=C\C(C)(C)C)C1C
InChIInChI=1S/C12H18O2/c1-7-8(2)10(13)11(14)9(7)6-12(3,4)5/h6-7,13H,1-5H3/b9-6-
InChIKeyCSVCRTUEOGEHOI-TWGQIWQCSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3,4,5,6-tetramethylcyclohexa-2,5-dien-1-one
CID 118968445
2-hydroxy-3,4-dimethyl-5-(3-methylbut-1-enylidene)cyclopent-2-en-1-one
CID 45098714
2,3-dimethylcyclopropen-1-ol
CID 58816589
(3Z)-3-(2,2-dimethylpropylidene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 59915106
(4R)-4-tert-butyl-2-hydroxy-3-methyl-5-methylidenecyclopent-2-en-1-one
CID 102594208
2,4-bis(2,2-dimethylpropylidene)cyclobutan-1-one
CID 164791099
(8E)-8-(2,2-dimethylpropylidene)bicyclo[3.2.1]octa-3,6-dien-2-one
CID 102182546
(2Z,6Z)-2,6-bis(2,2-dimethylpropylidene)cyclohexan-1-one
CID 122452595
(5S)-2,3,4,5-tetramethylcyclopenta-1,3-diene-1-carbaldehyde
CID 118191387
3,4-dihydroxy-2-methyl-2H-furan-5-one
CID 54676244
5-hydroxy-3,4-dimethyl-2,3-dihydro-1H-pyridin-6-one
CID 142451048
2,2-dimethylpropylidenecyclopentane
CID 55252750

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one (CID 101262476) is (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one is CC1=C(O)C(=O)/C(=C\C(C)(C)C)C1C.
What is the InChIKey of (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
The InChIKey is CSVCRTUEOGEHOI-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H18O2/c1-7-8(2)10(13)11(14)9(7)6-12(3,4)5/h6-7,13H,1-5H3/b9-6-.
What are the key properties of (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one?
(5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one has a molecular weight of 194.27 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(2,2-dimethylpropylidene)-2-hydroxy-3,4-dimethylcyclopent-2-en-1-one is sourced from PubChem (CID 101262476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).