4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one

C14H24O2 — CID 103135778

IUPAC4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CC2CCC(C)O2)C1
InChIInChI=1S/C14H24O2/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-13H,3-9H2,1-2H3
InChIKeyCPAOSFGSJQQBOS-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds3

About 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one

4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one (PubChem CID 103135778) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one
PubChem CID103135778
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CC2CCC(C)O2)C1
InChIInChI=1S/C14H24O2/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-13H,3-9H2,1-2H3
InChIKeyCPAOSFGSJQQBOS-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
CID 103131716
3-[(5-methyloxolan-2-yl)methyl]piperidin-4-one
CID 103135802
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-amine
CID 103135848
2-[[cyclopentyl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 55094874
2-(azetidin-1-ylmethyl)-4-ethylcyclohexan-1-one
CID 130548344
4-ethyl-2-(4-methoxybutyl)cyclohexan-1-one
CID 104648314
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
4-ethyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclohexan-1-one
CID 103502496
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one (CID 103135778) is 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CC2CCC(C)O2)C1.
What is the InChIKey of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one?
The InChIKey is CPAOSFGSJQQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-11-5-7-14(15)12(8-11)9-13-6-4-10(2)16-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(5-methyloxolan-2-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 103135778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).