1-[(E)-but-2-enoxy]decane

C14H28O — CID 11063762

IUPAC1-[(E)-but-2-enoxy]decane
SMILESC/C=C/COCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h4,6H,3,5,7-14H2,1-2H3/b6-4+
InChIKeyDKTPYXNGVPUVKO-GQCTYLIASA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds11

About 1-[(E)-but-2-enoxy]decane

1-[(E)-but-2-enoxy]decane (PubChem CID 11063762) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[(E)-but-2-enoxy]decane.

Molecular Properties

Compound Name1-[(E)-but-2-enoxy]decane
PubChem CID11063762
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-[(E)-but-2-enoxy]decane
SMILESC/C=C/COCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h4,6H,3,5,7-14H2,1-2H3/b6-4+
InChIKeyDKTPYXNGVPUVKO-GQCTYLIASA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
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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Related Compounds

Allyl n-octyl ether
CID 520600
Allyl n-Hexyl Ether
CID 264189
1-(2-Propenyloxy)heptane
CID 27904
1-(Allyloxy)decane
CID 76802
Allylhexadecyl ether
CID 13037788
Pentane, 1-(2-butenyloxy)-, (E)-
CID 5364567
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1,10-Diallyloxydecane
CID 11076006
2-Prop-2-enoxyoctane
CID 14970998
1-(3-Methylbut-2-enoxy)decane
CID 101441077
3-Nonyloxy-propene
CID 13225457
1,8-Bis(prop-2-enoxy)octane
CID 11492318

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enoxy]decane?
The IUPAC name of 1-[(E)-but-2-enoxy]decane (CID 11063762) is 1-[(E)-but-2-enoxy]decane.
What is the SMILES notation for 1-[(E)-but-2-enoxy]decane?
The canonical SMILES for 1-[(E)-but-2-enoxy]decane is C/C=C/COCCCCCCCCCC.
What is the InChIKey of 1-[(E)-but-2-enoxy]decane?
The InChIKey is DKTPYXNGVPUVKO-GQCTYLIASA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h4,6H,3,5,7-14H2,1-2H3/b6-4+.
What are the key properties of 1-[(E)-but-2-enoxy]decane?
1-[(E)-but-2-enoxy]decane has a molecular weight of 212.38 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enoxy]decane is sourced from PubChem (CID 11063762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).