2-ethenoxy-2-methyldecane

C13H26O — CID 150977035

IUPAC2-ethenoxy-2-methyldecane
SMILESC=COC(C)(C)CCCCCCCC
InChIInChI=1S/C13H26O/c1-5-7-8-9-10-11-12-13(3,4)14-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyLPHSGZMIILYBRD-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.68
Rot. Bonds9

About 2-ethenoxy-2-methyldecane

2-ethenoxy-2-methyldecane (PubChem CID 150977035) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-ethenoxy-2-methyldecane.

Molecular Properties

Compound Name2-ethenoxy-2-methyldecane
PubChem CID150977035
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name2-ethenoxy-2-methyldecane
SMILESC=COC(C)(C)CCCCCCCC
InChIInChI=1S/C13H26O/c1-5-7-8-9-10-11-12-13(3,4)14-6-2/h6H,2,5,7-12H2,1,3-4H3
InChIKeyLPHSGZMIILYBRD-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Isooctane, (ethenyloxy)-
CID 296393
Ether, 2,6,8-trimethylnonyl vinyl
CID 25002
2-Methoxy-2-methylnonane
CID 12714348
2-Methoxy-2-methylundecane
CID 15635904
1-Ethenoxy-3,7-dimethyloctane
CID 101959415
1-Ethenoxy-10-methylundecane
CID 14454736
1-Ethenoxy-11-methyldodecane
CID 14454738
6-Ethenoxy-2,6-dimethyloctane
CID 18387004
3-Ethenoxy-3-methyloctane
CID 18690634
2-Ethenoxy-5-ethylnonane
CID 19077760
1-Ethenoxy-2,2-dimethyloctane
CID 19077771
1-Ethenoxy-2,2-dimethyldecane
CID 19077777

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-2-methyldecane?
The IUPAC name of 2-ethenoxy-2-methyldecane (CID 150977035) is 2-ethenoxy-2-methyldecane.
What is the SMILES notation for 2-ethenoxy-2-methyldecane?
The canonical SMILES for 2-ethenoxy-2-methyldecane is C=COC(C)(C)CCCCCCCC.
What is the InChIKey of 2-ethenoxy-2-methyldecane?
The InChIKey is LPHSGZMIILYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-5-7-8-9-10-11-12-13(3,4)14-6-2/h6H,2,5,7-12H2,1,3-4H3.
What are the key properties of 2-ethenoxy-2-methyldecane?
2-ethenoxy-2-methyldecane has a molecular weight of 198.35 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-2-methyldecane is sourced from PubChem (CID 150977035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).