4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol

C14H24O2 — CID 59271521

IUPAC4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCCCOC1=C(C)C(C)C(O)C=C1CC
InChIInChI=1S/C14H24O2/c1-5-7-8-16-14-11(4)10(3)13(15)9-12(14)6-2/h9-10,13,15H,5-8H2,1-4H3
InChIKeyKPCYZTIIWMAOBM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.42
Rot. Bonds5

About 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol

4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 59271521) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID59271521
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCCCCOC1=C(C)C(C)C(O)C=C1CC
InChIInChI=1S/C14H24O2/c1-5-7-8-16-14-11(4)10(3)13(15)9-12(14)6-2/h9-10,13,15H,5-8H2,1-4H3
InChIKeyKPCYZTIIWMAOBM-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol (CID 59271521) is 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol is CCCCOC1=C(C)C(C)C(O)C=C1CC.
What is the InChIKey of 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is KPCYZTIIWMAOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-7-8-16-14-11(4)10(3)13(15)9-12(14)6-2/h9-10,13,15H,5-8H2,1-4H3.
What are the key properties of 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol?
4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 224.34 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-ethyl-5,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 59271521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).