bis(2,3-dimethylcyclopent-2-en-1-one);methane

C16H28O2 — CID 157136451

IUPACbis(2,3-dimethylcyclopent-2-en-1-one);methane
SMILESC.C.CC1=C(C)C(=O)CC1.CC1=C(C)C(=O)CC1
InChIInChI=1S/2C7H10O.2CH4/c2*1-5-3-4-7(8)6(5)2;;/h2*3-4H2,1-2H3;2*1H4
InChIKeyAJRHFGOEJXQRDU-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.64
Rot. Bonds

About bis(2,3-dimethylcyclopent-2-en-1-one);methane

bis(2,3-dimethylcyclopent-2-en-1-one);methane (PubChem CID 157136451) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is bis(2,3-dimethylcyclopent-2-en-1-one);methane.

Molecular Properties

Compound Namebis(2,3-dimethylcyclopent-2-en-1-one);methane
PubChem CID157136451
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Namebis(2,3-dimethylcyclopent-2-en-1-one);methane
SMILESC.C.CC1=C(C)C(=O)CC1.CC1=C(C)C(=O)CC1
InChIInChI=1S/2C7H10O.2CH4/c2*1-5-3-4-7(8)6(5)2;;/h2*3-4H2,1-2H3;2*1H4
InChIKeyAJRHFGOEJXQRDU-UHFFFAOYSA-N
XLogP4.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 88883225
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CID 142093002
3-tert-butyl-2-methylcyclopent-2-en-1-one
CID 11084066
2-methoxy-3-methylcyclohex-2-ene-1,4-dione
CID 5314614
3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
CID 160607365
2-acetyl-3-methylcyclopent-2-en-1-one
CID 130027608
6-amino-2,3-dimethylcyclohex-2-en-1-one;ethane
CID 142832995
2,3-dimethyl-5-(methylamino)cyclohex-2-en-1-one;methane
CID 162015445
2-(diethylamino)-3-methylcyclopent-2-en-1-one
CID 18185991
2-methyl-3-piperidin-1-ylcyclopent-2-en-1-one
CID 24747264
2-iodo-3-methylcyclohept-2-en-1-one
CID 11770818

Frequently Asked Questions

What is the IUPAC name of bis(2,3-dimethylcyclopent-2-en-1-one);methane?
The IUPAC name of bis(2,3-dimethylcyclopent-2-en-1-one);methane (CID 157136451) is bis(2,3-dimethylcyclopent-2-en-1-one);methane.
What is the SMILES notation for bis(2,3-dimethylcyclopent-2-en-1-one);methane?
The canonical SMILES for bis(2,3-dimethylcyclopent-2-en-1-one);methane is C.C.CC1=C(C)C(=O)CC1.CC1=C(C)C(=O)CC1.
What is the InChIKey of bis(2,3-dimethylcyclopent-2-en-1-one);methane?
The InChIKey is AJRHFGOEJXQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H10O.2CH4/c2*1-5-3-4-7(8)6(5)2;;/h2*3-4H2,1-2H3;2*1H4.
What are the key properties of bis(2,3-dimethylcyclopent-2-en-1-one);methane?
bis(2,3-dimethylcyclopent-2-en-1-one);methane has a molecular weight of 252.40 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dimethylcyclopent-2-en-1-one);methane is sourced from PubChem (CID 157136451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).