1-prop-2-enoxyoctadecane

C21H42O — CID 10913940

IUPAC1-prop-2-enoxyoctadecane
SMILESC=CCOCCCCCCCCCCCCCCCCCC
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/h4H,2-3,5-21H2,1H3
InChIKeyFZEKEXPQIXEGBH-UHFFFAOYSA-N
MW310.57 g/mol
LogP7.45
Rot. Bonds19

About 1-prop-2-enoxyoctadecane

1-prop-2-enoxyoctadecane (PubChem CID 10913940) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is 1-prop-2-enoxyoctadecane.

Molecular Properties

Compound Name1-prop-2-enoxyoctadecane
PubChem CID10913940
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name1-prop-2-enoxyoctadecane
SMILESC=CCOCCCCCCCCCCCCCCCCCC
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/h4H,2-3,5-21H2,1H3
InChIKeyFZEKEXPQIXEGBH-UHFFFAOYSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.45
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
1-[2-(Methoxymethyl)prop-2-enoxy]hexadecane
CID 11359333
1-[(2-Methylprop-2-EN-1-YL)oxy]hexadecane
CID 14475897
1-(2-Prop-2-enoxyethoxy)octadecane
CID 159319
1,10-Diallyloxydecane
CID 11076006
2-Prop-2-enoxyoctane
CID 14970998
1-(3-Butenyloxy)hexadecane
CID 19866525
1-[(1,1-Dimethyl-2-propenyl)oxy]hexadecane
CID 21242397

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyoctadecane?
The IUPAC name of 1-prop-2-enoxyoctadecane (CID 10913940) is 1-prop-2-enoxyoctadecane.
What is the SMILES notation for 1-prop-2-enoxyoctadecane?
The canonical SMILES for 1-prop-2-enoxyoctadecane is C=CCOCCCCCCCCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enoxyoctadecane?
The InChIKey is FZEKEXPQIXEGBH-UHFFFAOYSA-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/h4H,2-3,5-21H2,1H3.
What are the key properties of 1-prop-2-enoxyoctadecane?
1-prop-2-enoxyoctadecane has a molecular weight of 310.57 g/mol, XLogP of 7.45, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyoctadecane is sourced from PubChem (CID 10913940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).