1-(2-methylpent-1-enoxy)dodecane

C18H36O — CID 57175839

IUPAC1-(2-methylpent-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(C)CCC
InChIInChI=1S/C18H36O/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-18(3)15-5-2/h17H,4-16H2,1-3H3
InChIKeyMXALUVIJGMTLSD-UHFFFAOYSA-N
MW268.48 g/mol
LogP6.63
Rot. Bonds14

About 1-(2-methylpent-1-enoxy)dodecane

1-(2-methylpent-1-enoxy)dodecane (PubChem CID 57175839) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-(2-methylpent-1-enoxy)dodecane.

Molecular Properties

Compound Name1-(2-methylpent-1-enoxy)dodecane
PubChem CID57175839
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-(2-methylpent-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(C)CCC
InChIInChI=1S/C18H36O/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-18(3)15-5-2/h17H,4-16H2,1-3H3
InChIKeyMXALUVIJGMTLSD-UHFFFAOYSA-N
XLogP6.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 56.63
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpent-1-enoxy)dodecane?
The IUPAC name of 1-(2-methylpent-1-enoxy)dodecane (CID 57175839) is 1-(2-methylpent-1-enoxy)dodecane.
What is the SMILES notation for 1-(2-methylpent-1-enoxy)dodecane?
The canonical SMILES for 1-(2-methylpent-1-enoxy)dodecane is CCCCCCCCCCCCOC=C(C)CCC.
What is the InChIKey of 1-(2-methylpent-1-enoxy)dodecane?
The InChIKey is MXALUVIJGMTLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-18(3)15-5-2/h17H,4-16H2,1-3H3.
What are the key properties of 1-(2-methylpent-1-enoxy)dodecane?
1-(2-methylpent-1-enoxy)dodecane has a molecular weight of 268.48 g/mol, XLogP of 6.63, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpent-1-enoxy)dodecane is sourced from PubChem (CID 57175839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).