2,2,4,5-tetramethylcyclopentan-1-one

C9H16O — CID 13492787

IUPAC2,2,4,5-tetramethylcyclopentan-1-one
SMILESCC1CC(C)(C)C(=O)C1C
InChIInChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6-7H,5H2,1-4H3
InChIKeyMGLWQZXMWXFSDQ-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.26
Rot. Bonds

About 2,2,4,5-tetramethylcyclopentan-1-one

2,2,4,5-tetramethylcyclopentan-1-one (PubChem CID 13492787) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,2,4,5-tetramethylcyclopentan-1-one.

Molecular Properties

Compound Name2,2,4,5-tetramethylcyclopentan-1-one
PubChem CID13492787
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,2,4,5-tetramethylcyclopentan-1-one
SMILESCC1CC(C)(C)C(=O)C1C
InChIInChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6-7H,5H2,1-4H3
InChIKeyMGLWQZXMWXFSDQ-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(4R,5S)-2,2,4-trimethyl-5-nitrocyclopentan-1-one
CID 71372992
5-methoxy-2,2,6-trimethylcyclohexane-1,4-dione
CID 91578160
1,3,3,4-tetramethyl-2,6,7,7a-tetrahydro-1H-inden-5-one
CID 71389537
1,2-bis(ethenyl)-3,3,5,6-tetramethylcyclohexene
CID 145159198
2,3-dimethylcyclobutan-1-one
CID 544588
cis-(2R,3S)-2,3-dimethylcyclobutan-1-one
CID 22213570
2,2,3,3,5-pentamethylcyclopentan-1-one
CID 86146438
2-[(1R)-3,3-dimethyl-2-oxocyclobutyl]acetonitrile
CID 130703398
2,4,4,5,5-pentamethylcyclopentane-1,3-dione
CID 20686650
3,5,5-trimethylpiperidine-2,4-dione
CID 83815448
(6R)-2,2,6-trimethylcyclohexane-1,4-dione
CID 10176229
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181

Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetramethylcyclopentan-1-one?
The IUPAC name of 2,2,4,5-tetramethylcyclopentan-1-one (CID 13492787) is 2,2,4,5-tetramethylcyclopentan-1-one.
What is the SMILES notation for 2,2,4,5-tetramethylcyclopentan-1-one?
The canonical SMILES for 2,2,4,5-tetramethylcyclopentan-1-one is CC1CC(C)(C)C(=O)C1C.
What is the InChIKey of 2,2,4,5-tetramethylcyclopentan-1-one?
The InChIKey is MGLWQZXMWXFSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-5-9(3,4)8(10)7(6)2/h6-7H,5H2,1-4H3.
What are the key properties of 2,2,4,5-tetramethylcyclopentan-1-one?
2,2,4,5-tetramethylcyclopentan-1-one has a molecular weight of 140.23 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetramethylcyclopentan-1-one is sourced from PubChem (CID 13492787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).