4-(2-butoxyethyl)-2-ethylcyclohexan-1-one

C14H26O2 — CID 70645264

IUPAC4-(2-butoxyethyl)-2-ethylcyclohexan-1-one
SMILESCCCCOCCC1CCC(=O)C(CC)C1
InChIInChI=1S/C14H26O2/c1-3-5-9-16-10-8-12-6-7-14(15)13(4-2)11-12/h12-13H,3-11H2,1-2H3
InChIKeyFZZVSEKNGBSXAC-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.59
Rot. Bonds7

About 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one

4-(2-butoxyethyl)-2-ethylcyclohexan-1-one (PubChem CID 70645264) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one.

Molecular Properties

Compound Name4-(2-butoxyethyl)-2-ethylcyclohexan-1-one
PubChem CID70645264
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-(2-butoxyethyl)-2-ethylcyclohexan-1-one
SMILESCCCCOCCC1CCC(=O)C(CC)C1
InChIInChI=1S/C14H26O2/c1-3-5-9-16-10-8-12-6-7-14(15)13(4-2)11-12/h12-13H,3-11H2,1-2H3
InChIKeyFZZVSEKNGBSXAC-UHFFFAOYSA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-butoxy-2-hydroxypropyl)-4-ethylcyclohexan-1-one
CID 107263514
4-ethyl-2-(4-methoxybutyl)cyclohexan-1-one
CID 104648314
2-(2-ethylbutyl)-4-propylcyclohexan-1-one
CID 82928662
2-(3,3-dimethylbutyl)-4-propylcyclohexan-1-one
CID 63399562
2-ethylcyclobutan-1-one
CID 534566
2-(3-ethoxy-2-hydroxypropyl)-4-propylcyclohexan-1-one
CID 79417510
2-(2-phenylsulfanylethyl)-4-propylcyclohexan-1-one
CID 79227583
2-(cyclopropylmethyl)-4-ethylcyclohexan-1-one
CID 79417674
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-one
CID 103538833
4-(2-butoxyethyl)oxetan-2-one
CID 159363053
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 81074044
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-propylcyclohexan-1-one
CID 62613397

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one?
The IUPAC name of 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one (CID 70645264) is 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one.
What is the SMILES notation for 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one?
The canonical SMILES for 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one is CCCCOCCC1CCC(=O)C(CC)C1.
What is the InChIKey of 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one?
The InChIKey is FZZVSEKNGBSXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-9-16-10-8-12-6-7-14(15)13(4-2)11-12/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one?
4-(2-butoxyethyl)-2-ethylcyclohexan-1-one has a molecular weight of 226.36 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-2-ethylcyclohexan-1-one is sourced from PubChem (CID 70645264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).