5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one

C14H26O — CID 167537268

IUPAC5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one
SMILESCC1CCC(CC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C14H26O/c1-11-5-6-12(9-11)10-13(15)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZFSGBBRPEQSYRG-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds4

About 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one

5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one (PubChem CID 167537268) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one
PubChem CID167537268
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one
SMILESCC1CCC(CC(=O)CCC(C)(C)C)C1
InChIInChI=1S/C14H26O/c1-11-5-6-12(9-11)10-13(15)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyZFSGBBRPEQSYRG-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

4,4-dimethyl-1-(3-methylcyclopentyl)pentan-1-one
CID 65402131
1-(2,2-dimethylpropyl)-3-methylcyclopentane
CID 58530421
1-[(1S,3S)-3-(2,2-dimethylpropyl)cyclohexyl]pentan-2-one
CID 164950043
1-(3-methylcyclohexyl)pentan-2-one;propane;prop-1-ene
CID 170590257
3-methyl-1-(3-methylcyclopentyl)butan-2-one
CID 167693796
N-tert-butyl-2-[(1R,5S)-3-(5,5-dimethyl-2-oxohexyl)-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 159359834
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
1-[(1S,3R)-2,2-dimethyl-3-(2-oxoheptyl)cyclobutyl]-5,5-dimethylhexan-2-one
CID 139254519
3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412716
2-[(3-methylcyclopentyl)methylamino]acetic acid
CID 107412592
2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
CID 70915057

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one?
The IUPAC name of 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one (CID 167537268) is 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one.
What is the SMILES notation for 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one?
The canonical SMILES for 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one is CC1CCC(CC(=O)CCC(C)(C)C)C1.
What is the InChIKey of 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one?
The InChIKey is ZFSGBBRPEQSYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-11-5-6-12(9-11)10-13(15)7-8-14(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one?
5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(3-methylcyclopentyl)hexan-2-one is sourced from PubChem (CID 167537268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).