4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene

C15H28O — CID 70645263

IUPAC4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene
SMILESCCCCOCCC1CCC(C)=C(CC)C1
InChIInChI=1S/C15H28O/c1-4-6-10-16-11-9-14-8-7-13(3)15(5-2)12-14/h14H,4-12H2,1-3H3
InChIKeyFGHYJPJEMKKDCF-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.72
Rot. Bonds7

About 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene

4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene (PubChem CID 70645263) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene.

Molecular Properties

Compound Name4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene
PubChem CID70645263
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene
SMILESCCCCOCCC1CCC(C)=C(CC)C1
InChIInChI=1S/C15H28O/c1-4-6-10-16-11-9-14-8-7-13(3)15(5-2)12-14/h14H,4-12H2,1-3H3
InChIKeyFGHYJPJEMKKDCF-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene?
The IUPAC name of 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene (CID 70645263) is 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene.
What is the SMILES notation for 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene?
The canonical SMILES for 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene is CCCCOCCC1CCC(C)=C(CC)C1.
What is the InChIKey of 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene?
The InChIKey is FGHYJPJEMKKDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-4-6-10-16-11-9-14-8-7-13(3)15(5-2)12-14/h14H,4-12H2,1-3H3.
What are the key properties of 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene?
4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene has a molecular weight of 224.39 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethyl)-2-ethyl-1-methylcyclohexene is sourced from PubChem (CID 70645263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).