1-(2-ethylhex-1-enoxy)dodecane

C20H40O — CID 57032013

IUPAC1-(2-ethylhex-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C20H40O/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19H,4-18H2,1-3H3
InChIKeyHSYCKKVSKKGGEU-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.41
Rot. Bonds16

About 1-(2-ethylhex-1-enoxy)dodecane

1-(2-ethylhex-1-enoxy)dodecane (PubChem CID 57032013) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is 1-(2-ethylhex-1-enoxy)dodecane.

Molecular Properties

Compound Name1-(2-ethylhex-1-enoxy)dodecane
PubChem CID57032013
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Name1-(2-ethylhex-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(CC)CCCC
InChIInChI=1S/C20H40O/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19H,4-18H2,1-3H3
InChIKeyHSYCKKVSKKGGEU-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhex-1-enoxy)dodecane?
The IUPAC name of 1-(2-ethylhex-1-enoxy)dodecane (CID 57032013) is 1-(2-ethylhex-1-enoxy)dodecane.
What is the SMILES notation for 1-(2-ethylhex-1-enoxy)dodecane?
The canonical SMILES for 1-(2-ethylhex-1-enoxy)dodecane is CCCCCCCCCCCCOC=C(CC)CCCC.
What is the InChIKey of 1-(2-ethylhex-1-enoxy)dodecane?
The InChIKey is HSYCKKVSKKGGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-4-7-9-10-11-12-13-14-15-16-18-21-19-20(6-3)17-8-5-2/h19H,4-18H2,1-3H3.
What are the key properties of 1-(2-ethylhex-1-enoxy)dodecane?
1-(2-ethylhex-1-enoxy)dodecane has a molecular weight of 296.54 g/mol, XLogP of 7.41, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhex-1-enoxy)dodecane is sourced from PubChem (CID 57032013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).