1-[(E)-prop-1-enoxy]octadecane

C21H42O — CID 20501237

IUPAC1-[(E)-prop-1-enoxy]octadecane
SMILESC/C=C/OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,20H,3,5-19,21H2,1-2H3/b20-4+
InChIKeyCBOSSLWFVRATTK-LRNAUUFOSA-N
MW310.57 g/mol
LogP7.80
Rot. Bonds18

About 1-[(E)-prop-1-enoxy]octadecane

1-[(E)-prop-1-enoxy]octadecane (PubChem CID 20501237) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-[(E)-prop-1-enoxy]octadecane.

Molecular Properties

Compound Name1-[(E)-prop-1-enoxy]octadecane
PubChem CID20501237
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name1-[(E)-prop-1-enoxy]octadecane
SMILESC/C=C/OCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C21H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,20H,3,5-19,21H2,1-2H3/b20-4+
InChIKeyCBOSSLWFVRATTK-LRNAUUFOSA-N
XLogP7.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.80
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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Related Compounds

Octadecyl vinyl ether
CID 13585
Cetyl vinyl ether
CID 69971
Heptane, 1-(1-butenyloxy)-, (E)-
CID 5366295
1-[(Z)-prop-1-enoxy]decane
CID 11805699
n-Octyl oxypropylene
CID 13709445
1-(Ethenyloxy)icosane
CID 14454740
Pentadecaoxyethylene
CID 14647797
1-[(E)-prop-1-enoxy]hexadecane
CID 20501241
Isopropenyl octadecyl ether
CID 22407739
1,10-Decanediol di-1-propenyl ether
CID 54271291
1-[(Z)-prop-1-enoxy]hexadecane
CID 87834889
1-[(Z)-prop-1-enoxy]hexane
CID 88652245

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enoxy]octadecane?
The IUPAC name of 1-[(E)-prop-1-enoxy]octadecane (CID 20501237) is 1-[(E)-prop-1-enoxy]octadecane.
What is the SMILES notation for 1-[(E)-prop-1-enoxy]octadecane?
The canonical SMILES for 1-[(E)-prop-1-enoxy]octadecane is C/C=C/OCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-[(E)-prop-1-enoxy]octadecane?
The InChIKey is CBOSSLWFVRATTK-LRNAUUFOSA-N. The full InChI is InChI=1S/C21H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,20H,3,5-19,21H2,1-2H3/b20-4+.
What are the key properties of 1-[(E)-prop-1-enoxy]octadecane?
1-[(E)-prop-1-enoxy]octadecane has a molecular weight of 310.57 g/mol, XLogP of 7.80, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enoxy]octadecane is sourced from PubChem (CID 20501237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).