3-(2-ethylhexyl)-2-methylcyclopentan-1-one

C14H26O — CID 64908527

IUPAC3-(2-ethylhexyl)-2-methylcyclopentan-1-one
SMILESCCCCC(CC)CC1CCC(=O)C1C
InChIInChI=1S/C14H26O/c1-4-6-7-12(5-2)10-13-8-9-14(15)11(13)3/h11-13H,4-10H2,1-3H3
InChIKeyPFXSZDVSJQZIGS-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.21
Rot. Bonds6

About 3-(2-ethylhexyl)-2-methylcyclopentan-1-one

3-(2-ethylhexyl)-2-methylcyclopentan-1-one (PubChem CID 64908527) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 3-(2-ethylhexyl)-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-(2-ethylhexyl)-2-methylcyclopentan-1-one
PubChem CID64908527
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name3-(2-ethylhexyl)-2-methylcyclopentan-1-one
SMILESCCCCC(CC)CC1CCC(=O)C1C
InChIInChI=1S/C14H26O/c1-4-6-7-12(5-2)10-13-8-9-14(15)11(13)3/h11-13H,4-10H2,1-3H3
InChIKeyPFXSZDVSJQZIGS-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

trans-(2S,3R)-3-butyl-2-methylcyclopentan-1-one
CID 124509063
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544
2-(2-ethylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55185776
N-[[2-(2-ethylhexyl)cyclobutyl]methyl]ethanamine
CID 81018447
2-(2-ethylhexyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020903
3-(2-ethylhexyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64908358
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
3-(2-ethylhexyl)pyrrolidine-2,5-dione
CID 172620709
2-(2-ethylhexyl)oxetane
CID 158420180
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
(3R)-3-(4,4-difluoro-3-oxooctyl)-2-methylcyclopentan-1-one
CID 129227984
N-[[2-(2-ethylhexyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81024041

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)-2-methylcyclopentan-1-one?
The IUPAC name of 3-(2-ethylhexyl)-2-methylcyclopentan-1-one (CID 64908527) is 3-(2-ethylhexyl)-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-(2-ethylhexyl)-2-methylcyclopentan-1-one?
The canonical SMILES for 3-(2-ethylhexyl)-2-methylcyclopentan-1-one is CCCCC(CC)CC1CCC(=O)C1C.
What is the InChIKey of 3-(2-ethylhexyl)-2-methylcyclopentan-1-one?
The InChIKey is PFXSZDVSJQZIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-4-6-7-12(5-2)10-13-8-9-14(15)11(13)3/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-(2-ethylhexyl)-2-methylcyclopentan-1-one?
3-(2-ethylhexyl)-2-methylcyclopentan-1-one has a molecular weight of 210.36 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)-2-methylcyclopentan-1-one is sourced from PubChem (CID 64908527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).