2-butyloctyl 2-methylprop-2-enoate

C16H30O2 — CID 24916

IUPAC2-butyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)CCCCCC
InChIInChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyVHGQXSVGGOZFAO-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.88
Rot. Bonds11

About 2-butyloctyl 2-methylprop-2-enoate

2-butyloctyl 2-methylprop-2-enoate (PubChem CID 24916) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-butyloctyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-butyloctyl 2-methylprop-2-enoate
PubChem CID24916
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-butyloctyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)CCCCCC
InChIInChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3
InChIKeyVHGQXSVGGOZFAO-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butyloctyl 2-methylprop-2-enoate?
The IUPAC name of 2-butyloctyl 2-methylprop-2-enoate (CID 24916) is 2-butyloctyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-butyloctyl 2-methylprop-2-enoate?
The canonical SMILES for 2-butyloctyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCC)CCCCCC.
What is the InChIKey of 2-butyloctyl 2-methylprop-2-enoate?
The InChIKey is VHGQXSVGGOZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-7-9-10-12-15(11-8-6-2)13-18-16(17)14(3)4/h15H,3,5-13H2,1-2,4H3.
What are the key properties of 2-butyloctyl 2-methylprop-2-enoate?
2-butyloctyl 2-methylprop-2-enoate has a molecular weight of 254.41 g/mol, XLogP of 4.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloctyl 2-methylprop-2-enoate is sourced from PubChem (CID 24916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).