1-but-3-enoxydecane

C14H28O — CID 101379254

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

About 1-but-3-enoxydecane

1-but-3-enoxydecane (PubChem CID 101379254) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-but-3-enoxydecane.

Molecular Properties

Compound Name1-but-3-enoxydecane
PubChem CID101379254
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name1-but-3-enoxydecane
SMILESC=CCCOCCCCCCCCCC
InChIInChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h4H,2-3,5-14H2,1H3
InChIKeyFOHFMSVIPIANRM-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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Related Compounds

1-Decene, 10-methoxy-
CID 3085890
4-Methoxy dec-1-ene
CID 11829889
Heptane, 1-(1-butenyloxy)-, (E)-
CID 5366295
1-(2-Fluorobut-3-enoxy)dodecane
CID 102200837
1-Undecene, 4-methoxy-
CID 10261807
4-Methoxy-1-dodecene
CID 10420283
11-Methoxyundec-1-ene
CID 15635905
1-Pent-4-enoxyhexane
CID 15643642
1-(3-Butenyloxy)hexadecane
CID 19866525
1-Methoxy-2-(undec-10-en-1-yloxy)ethane
CID 142718624
Ether, 3-butenyl pentyl
CID 537745
Hexane, 1-(3-butenyloxy)-
CID 538268

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enoxydecane?
The IUPAC name of 1-but-3-enoxydecane (CID 101379254) is 1-but-3-enoxydecane.
What is the SMILES notation for 1-but-3-enoxydecane?
The canonical SMILES for 1-but-3-enoxydecane is C=CCCOCCCCCCCCCC.
What is the InChIKey of 1-but-3-enoxydecane?
The InChIKey is FOHFMSVIPIANRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h4H,2-3,5-14H2,1H3.
What are the key properties of 1-but-3-enoxydecane?
1-but-3-enoxydecane 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-but-3-enoxydecane is sourced from PubChem (CID 101379254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).