7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane

C16H32O — CID 14622045

IUPAC7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
SMILESC=CC(CCC)CCCCCCOC(C)(C)C
InChIInChI=1S/C16H32O/c1-6-12-15(7-2)13-10-8-9-11-14-17-16(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeySOLFJUKPCOPYIP-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.35
Rot. Bonds10

About 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane

7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane (PubChem CID 14622045) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane.

Molecular Properties

Compound Name7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
PubChem CID14622045
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane
SMILESC=CC(CCC)CCCCCCOC(C)(C)C
InChIInChI=1S/C16H32O/c1-6-12-15(7-2)13-10-8-9-11-14-17-16(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3
InChIKeySOLFJUKPCOPYIP-UHFFFAOYSA-N
XLogP5.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.35
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 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane?
The IUPAC name of 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane (CID 14622045) is 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane.
What is the SMILES notation for 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane?
The canonical SMILES for 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane is C=CC(CCC)CCCCCCOC(C)(C)C.
What is the InChIKey of 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane?
The InChIKey is SOLFJUKPCOPYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O/c1-6-12-15(7-2)13-10-8-9-11-14-17-16(3,4)5/h7,15H,2,6,8-14H2,1,3-5H3.
What are the key properties of 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane?
7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane has a molecular weight of 240.43 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-1-[(2-methylpropan-2-yl)oxy]decane is sourced from PubChem (CID 14622045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).