4-prop-2-enoxydecane

C13H26O — CID 102003307

IUPAC4-prop-2-enoxydecane
SMILESC=CCOC(CCC)CCCCCC
InChIInChI=1S/C13H26O/c1-4-7-8-9-11-13(10-5-2)14-12-6-3/h6,13H,3-5,7-12H2,1-2H3
InChIKeyWXFQYVXTRMPWGM-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.33
Rot. Bonds10

About 4-prop-2-enoxydecane

4-prop-2-enoxydecane (PubChem CID 102003307) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-prop-2-enoxydecane.

Molecular Properties

Compound Name4-prop-2-enoxydecane
PubChem CID102003307
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-prop-2-enoxydecane
SMILESC=CCOC(CCC)CCCCCC
InChIInChI=1S/C13H26O/c1-4-7-8-9-11-13(10-5-2)14-12-6-3/h6,13H,3-5,7-12H2,1-2H3
InChIKeyWXFQYVXTRMPWGM-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.33
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

5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600
1,1-bis(prop-2-enoxy)nonane
CID 123908723
2-prop-2-enoxyheptane
CID 142701865
9-ethoxyoctadecane
CID 87148376
4-icosan-4-yloxyicosane
CID 87313284
3-prop-2-enoxyoct-1-yne
CID 11126647
2-(10-prop-2-enoxytridecoxy)oxane
CID 11035223
ethenyl-dimethyl-tridecan-4-yloxysilane
CID 593808
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
4-hexadecan-5-yloxyhexadecane
CID 57069400
N-ethyl-2-prop-2-enoxypentan-1-amine
CID 83045873

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxydecane?
The IUPAC name of 4-prop-2-enoxydecane (CID 102003307) is 4-prop-2-enoxydecane.
What is the SMILES notation for 4-prop-2-enoxydecane?
The canonical SMILES for 4-prop-2-enoxydecane is C=CCOC(CCC)CCCCCC.
What is the InChIKey of 4-prop-2-enoxydecane?
The InChIKey is WXFQYVXTRMPWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-7-8-9-11-13(10-5-2)14-12-6-3/h6,13H,3-5,7-12H2,1-2H3.
What are the key properties of 4-prop-2-enoxydecane?
4-prop-2-enoxydecane has a molecular weight of 198.35 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxydecane is sourced from PubChem (CID 102003307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).