1-prop-2-enoxyundecane

C14H28O — CID 11148558

IUPAC1-prop-2-enoxyundecane
SMILESC=CCOCCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h4H,2-3,5-14H2,1H3
InChIKeyDAZPMKTVICAJFA-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds12

About 1-prop-2-enoxyundecane

1-prop-2-enoxyundecane (PubChem CID 11148558) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-prop-2-enoxyundecane.

Molecular Properties

Compound Name1-prop-2-enoxyundecane
PubChem CID11148558
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-prop-2-enoxyundecane
SMILESC=CCOCCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h4H,2-3,5-14H2,1H3
InChIKeyDAZPMKTVICAJFA-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
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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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyundecane?
The IUPAC name of 1-prop-2-enoxyundecane (CID 11148558) is 1-prop-2-enoxyundecane.
What is the SMILES notation for 1-prop-2-enoxyundecane?
The canonical SMILES for 1-prop-2-enoxyundecane is C=CCOCCCCCCCCCCC.
What is the InChIKey of 1-prop-2-enoxyundecane?
The InChIKey is DAZPMKTVICAJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-14-15-13-4-2/h4H,2-3,5-14H2,1H3.
What are the key properties of 1-prop-2-enoxyundecane?
1-prop-2-enoxyundecane has a molecular weight of 212.38 g/mol, XLogP of 4.72, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyundecane is sourced from PubChem (CID 11148558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).