1-[4-(1-ethoxyethoxy)butyl]cyclohexene

C14H26O2 — CID 139263564

IUPAC1-[4-(1-ethoxyethoxy)butyl]cyclohexene
SMILESCCOC(C)OCCCCC1=CCCCC1
InChIInChI=1S/C14H26O2/c1-3-15-13(2)16-12-8-7-11-14-9-5-4-6-10-14/h9,13H,3-8,10-12H2,1-2H3
InChIKeyKNFWHFAAJMQVEM-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds8

About 1-[4-(1-ethoxyethoxy)butyl]cyclohexene

1-[4-(1-ethoxyethoxy)butyl]cyclohexene (PubChem CID 139263564) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[4-(1-ethoxyethoxy)butyl]cyclohexene.

Molecular Properties

Compound Name1-[4-(1-ethoxyethoxy)butyl]cyclohexene
PubChem CID139263564
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1-[4-(1-ethoxyethoxy)butyl]cyclohexene
SMILESCCOC(C)OCCCCC1=CCCCC1
InChIInChI=1S/C14H26O2/c1-3-15-13(2)16-12-8-7-11-14-9-5-4-6-10-14/h9,13H,3-8,10-12H2,1-2H3
InChIKeyKNFWHFAAJMQVEM-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclohexene?
The IUPAC name of 1-[4-(1-ethoxyethoxy)butyl]cyclohexene (CID 139263564) is 1-[4-(1-ethoxyethoxy)butyl]cyclohexene.
What is the SMILES notation for 1-[4-(1-ethoxyethoxy)butyl]cyclohexene?
The canonical SMILES for 1-[4-(1-ethoxyethoxy)butyl]cyclohexene is CCOC(C)OCCCCC1=CCCCC1.
What is the InChIKey of 1-[4-(1-ethoxyethoxy)butyl]cyclohexene?
The InChIKey is KNFWHFAAJMQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-15-13(2)16-12-8-7-11-14-9-5-4-6-10-14/h9,13H,3-8,10-12H2,1-2H3.
What are the key properties of 1-[4-(1-ethoxyethoxy)butyl]cyclohexene?
1-[4-(1-ethoxyethoxy)butyl]cyclohexene has a molecular weight of 226.36 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxyethoxy)butyl]cyclohexene is sourced from PubChem (CID 139263564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).