1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one

C14H26O — CID 160740910

IUPAC1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
SMILESCC(C)(C)C(C)(C)C(=O)CC1CCCC1
InChIInChI=1S/C14H26O/c1-13(2,3)14(4,5)12(15)10-11-8-6-7-9-11/h11H,6-10H2,1-5H3
InChIKeyYUKJAGKUERDTEY-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds3

About 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one

1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one (PubChem CID 160740910) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
PubChem CID160740910
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one
SMILESCC(C)(C)C(C)(C)C(=O)CC1CCCC1
InChIInChI=1S/C14H26O/c1-13(2,3)14(4,5)12(15)10-11-8-6-7-9-11/h11H,6-10H2,1-5H3
InChIKeyYUKJAGKUERDTEY-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-(ethylamino)-3-methylbutan-2-one
CID 116566140
3-amino-1-cyclobutyl-3-cyclopropylbutan-2-one
CID 116558426
3,3-dimethyl-1-[4-(2-oxopropyl)cyclohexyl]butan-2-one
CID 21340947
1-cyclohexyl-5,5-dimethylhexane-2,4-dione
CID 14227231
3-(aminomethyl)-1-cyclohexyl-3-ethylpentan-2-one
CID 116603857
1-cyclopentyl-3-ethoxy-3-ethylpentan-2-one
CID 116747218
1-cyclohexadecylpropan-2-one
CID 175123721
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
1-cyclobutyl-3-methyl-3-pyrrolidin-1-ylpentan-2-one
CID 79069007
3-cyclohexyl-1,1-difluoro-2-oxopropane-1-sulfonate
CID 58100531
2-[(2-cyclopentylacetyl)-methylamino]-2-methylpropanoic acid
CID 62818628
2-cyclobutyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 103867639

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one?
The IUPAC name of 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one (CID 160740910) is 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one.
What is the SMILES notation for 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one?
The canonical SMILES for 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one is CC(C)(C)C(C)(C)C(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one?
The InChIKey is YUKJAGKUERDTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-13(2,3)14(4,5)12(15)10-11-8-6-7-9-11/h11H,6-10H2,1-5H3.
What are the key properties of 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one?
1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3,3,4,4-tetramethylpentan-2-one is sourced from PubChem (CID 160740910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).