1-prop-2-enoxydodecane

C15H30O — CID 22051759

IUPAC1-prop-2-enoxydodecane
SMILESC=CCOCCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyNSRJCKNAJOEJMR-UHFFFAOYSA-N
MW226.40 g/mol
LogP5.11
Rot. Bonds13

About 1-prop-2-enoxydodecane

1-prop-2-enoxydodecane (PubChem CID 22051759) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is 1-prop-2-enoxydodecane.

Molecular Properties

Compound Name1-prop-2-enoxydodecane
PubChem CID22051759
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name1-prop-2-enoxydodecane
SMILESC=CCOCCCCCCCCCCCC
InChIInChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3
InChIKeyNSRJCKNAJOEJMR-UHFFFAOYSA-N
XLogP5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.40
LogP ≤ 55.11
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
1-[(2-Methyl-2-propen-1-yl)oxy]heptane
CID 59869400
Allylhexadecyl ether
CID 13037788
1-Nonen-3-ol, methyl ether
CID 12563924
Allyl pentyl ether
CID 141011
1-(2-Prop-2-enoxyethoxy)octadecane
CID 159319
Octadecane, 1-(2-propenyloxy)-
CID 10913940
1-(2-Methylprop-2-enoxy)octane
CID 10954221
1,10-Diallyloxydecane
CID 11076006

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxydodecane?
The IUPAC name of 1-prop-2-enoxydodecane (CID 22051759) is 1-prop-2-enoxydodecane.
What is the SMILES notation for 1-prop-2-enoxydodecane?
The canonical SMILES for 1-prop-2-enoxydodecane is C=CCOCCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enoxydodecane?
The InChIKey is NSRJCKNAJOEJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2/h4H,2-3,5-15H2,1H3.
What are the key properties of 1-prop-2-enoxydodecane?
1-prop-2-enoxydodecane has a molecular weight of 226.40 g/mol, XLogP of 5.11, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxydodecane is sourced from PubChem (CID 22051759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).