4-methoxy-1-prop-1-enoxytridecane

C17H34O2 — CID 152587936

IUPAC4-methoxy-1-prop-1-enoxytridecane
SMILESCC=COCCCC(CCCCCCCCC)OC
InChIInChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-13-17(18-3)14-12-16-19-15-5-2/h5,15,17H,4,6-14,16H2,1-3H3
InChIKeyYUVQDKSWLJRWGH-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.47
Rot. Bonds14

About 4-methoxy-1-prop-1-enoxytridecane

4-methoxy-1-prop-1-enoxytridecane (PubChem CID 152587936) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-methoxy-1-prop-1-enoxytridecane.

Molecular Properties

Compound Name4-methoxy-1-prop-1-enoxytridecane
PubChem CID152587936
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name4-methoxy-1-prop-1-enoxytridecane
SMILESCC=COCCCC(CCCCCCCCC)OC
InChIInChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-13-17(18-3)14-12-16-19-15-5-2/h5,15,17H,4,6-14,16H2,1-3H3
InChIKeyYUVQDKSWLJRWGH-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,12-Bis(ethenoxy)octadecane
CID 301650
1-[(E)-prop-1-enoxy]hexadecane
CID 20501241
1,10-Decanediol di-1-propenyl ether
CID 54271291
1-[(Z)-prop-1-enoxy]hexadecane
CID 87834889
3-fluoro-2-[(E)-prop-1-enoxy]decane
CID 18972205
3-Fluoro-2-prop-1-enoxydecane
CID 73473902
12-Vinyloxystearyl ethyl ether
CID 129728271
Cyclododecane, (1-propenyloxy)-
CID 5374044
1-[(E)-prop-1-enoxy]octadecane
CID 20501237
2-[(E)-prop-1-enoxy]decane
CID 23217734
1,6-Bis(prop-1-enoxy)octane
CID 53934114
1,8-Bis(prop-1-enoxy)octane
CID 54370507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-prop-1-enoxytridecane?
The IUPAC name of 4-methoxy-1-prop-1-enoxytridecane (CID 152587936) is 4-methoxy-1-prop-1-enoxytridecane.
What is the SMILES notation for 4-methoxy-1-prop-1-enoxytridecane?
The canonical SMILES for 4-methoxy-1-prop-1-enoxytridecane is CC=COCCCC(CCCCCCCCC)OC.
What is the InChIKey of 4-methoxy-1-prop-1-enoxytridecane?
The InChIKey is YUVQDKSWLJRWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-4-6-7-8-9-10-11-13-17(18-3)14-12-16-19-15-5-2/h5,15,17H,4,6-14,16H2,1-3H3.
What are the key properties of 4-methoxy-1-prop-1-enoxytridecane?
4-methoxy-1-prop-1-enoxytridecane has a molecular weight of 270.46 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-prop-1-enoxytridecane is sourced from PubChem (CID 152587936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).