1,6-bis(but-2-enoxy)hexane

C14H26O2 — CID 173425920

IUPAC1,6-bis(but-2-enoxy)hexane
SMILESCC=CCOCCCCCCOCC=CC
InChIInChI=1S/C14H26O2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h3-6H,7-14H2,1-2H3
InChIKeyZRSZVVOANUMISW-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds11

About 1,6-bis(but-2-enoxy)hexane

1,6-bis(but-2-enoxy)hexane (PubChem CID 173425920) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 1,6-bis(but-2-enoxy)hexane.

Molecular Properties

Compound Name1,6-bis(but-2-enoxy)hexane
PubChem CID173425920
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name1,6-bis(but-2-enoxy)hexane
SMILESCC=CCOCCCCCCOCC=CC
InChIInChI=1S/C14H26O2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h3-6H,7-14H2,1-2H3
InChIKeyZRSZVVOANUMISW-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
1-but-2-enoxybutane
CID 543904
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
5-but-2-enoxy-N-propan-2-ylpentan-1-amine
CID 76943498
6-but-2-enoxyhexanehydrazide
CID 77024435
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
2-[(E)-but-2-enoxy]ethanamine
CID 58684399
1-[(2E,4E)-hexa-2,4-dienoxy]octane
CID 122683183
6-[(E)-but-2-enoxy]-2,2-dimethylhexanenitrile
CID 106710483
4-but-2-enoxy-N-(2-methylpropyl)butan-1-amine
CID 76943518
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325

Frequently Asked Questions

What is the IUPAC name of 1,6-bis(but-2-enoxy)hexane?
The IUPAC name of 1,6-bis(but-2-enoxy)hexane (CID 173425920) is 1,6-bis(but-2-enoxy)hexane.
What is the SMILES notation for 1,6-bis(but-2-enoxy)hexane?
The canonical SMILES for 1,6-bis(but-2-enoxy)hexane is CC=CCOCCCCCCOCC=CC.
What is the InChIKey of 1,6-bis(but-2-enoxy)hexane?
The InChIKey is ZRSZVVOANUMISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h3-6H,7-14H2,1-2H3.
What are the key properties of 1,6-bis(but-2-enoxy)hexane?
1,6-bis(but-2-enoxy)hexane has a molecular weight of 226.36 g/mol, XLogP of 3.73, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis(but-2-enoxy)hexane is sourced from PubChem (CID 173425920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).