2-(2-ethylcyclohexyl)cycloheptan-1-one

C15H26O — CID 63861686

IUPAC2-(2-ethylcyclohexyl)cycloheptan-1-one
SMILESCCC1CCCCC1C1CCCCCC1=O
InChIInChI=1S/C15H26O/c1-2-12-8-6-7-9-13(12)14-10-4-3-5-11-15(14)16/h12-14H,2-11H2,1H3
InChIKeyXBSWPEZLBSDRRJ-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.35
Rot. Bonds2

About 2-(2-ethylcyclohexyl)cycloheptan-1-one

2-(2-ethylcyclohexyl)cycloheptan-1-one (PubChem CID 63861686) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 2-(2-ethylcyclohexyl)cycloheptan-1-one.

Molecular Properties

Compound Name2-(2-ethylcyclohexyl)cycloheptan-1-one
PubChem CID63861686
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name2-(2-ethylcyclohexyl)cycloheptan-1-one
SMILESCCC1CCCCC1C1CCCCCC1=O
InChIInChI=1S/C15H26O/c1-2-12-8-6-7-9-13(12)14-10-4-3-5-11-15(14)16/h12-14H,2-11H2,1H3
InChIKeyXBSWPEZLBSDRRJ-UHFFFAOYSA-N
XLogP4.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(2R,3R)-2-bromo-3-ethylcycloheptan-1-one
CID 71422025
2-[(1R,2S)-2-methoxycyclohexyl]cyclohexan-1-one
CID 101057630
2-(2-ethylcyclohexyl)-4-phenylcyclohexan-1-one
CID 79424662
(2S)-2-[(1S,2R)-2-hydroxycyclohexyl]cyclohexan-1-one
CID 11830360
2-[1-(2-ethylcyclohexyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543796
(3aR,8aR)-2,3,3a,5,6,7,8,8a-octahydroazulene-1,4-dione
CID 12696314
(4aR,4bR,8aR,10aR)-2,3,4,4a,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthrene-1,8-dione
CID 102156481
(3aR,10aS)-2,3,3a,5,6,7,8,9,10,10a-decahydro-1H-cyclopenta[9]annulen-4-one
CID 102063189
2-[[cyclopropyl(ethyl)amino]methyl]cycloheptan-1-one
CID 62613017
(1R,2R,9S,10S)-tricyclo[8.6.0.02,9]hexadecane-3,16-dione
CID 102059008
2-(2-ethylcyclohexyl)cycloheptan-1-amine
CID 63861150
trans-(2S,3S)-3-ethyl-2-propanoylcyclohexan-1-one
CID 131850892

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylcyclohexyl)cycloheptan-1-one?
The IUPAC name of 2-(2-ethylcyclohexyl)cycloheptan-1-one (CID 63861686) is 2-(2-ethylcyclohexyl)cycloheptan-1-one.
What is the SMILES notation for 2-(2-ethylcyclohexyl)cycloheptan-1-one?
The canonical SMILES for 2-(2-ethylcyclohexyl)cycloheptan-1-one is CCC1CCCCC1C1CCCCCC1=O.
What is the InChIKey of 2-(2-ethylcyclohexyl)cycloheptan-1-one?
The InChIKey is XBSWPEZLBSDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-12-8-6-7-9-13(12)14-10-4-3-5-11-15(14)16/h12-14H,2-11H2,1H3.
What are the key properties of 2-(2-ethylcyclohexyl)cycloheptan-1-one?
2-(2-ethylcyclohexyl)cycloheptan-1-one has a molecular weight of 222.37 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylcyclohexyl)cycloheptan-1-one is sourced from PubChem (CID 63861686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).