2-methylpentadecane;2-methylprop-2-enoic acid

C20H40O2 — CID 118483303

IUPAC2-methylpentadecane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C16H34.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-3(2)4(5)6/h16H,4-15H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyGUNAEAZWSIKHIQ-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.99
Rot. Bonds13

About 2-methylpentadecane;2-methylprop-2-enoic acid

2-methylpentadecane;2-methylprop-2-enoic acid (PubChem CID 118483303) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-methylpentadecane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-methylpentadecane;2-methylprop-2-enoic acid
PubChem CID118483303
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name2-methylpentadecane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C16H34.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-3(2)4(5)6/h16H,4-15H2,1-3H3;1H2,2H3,(H,5,6)
InChIKeyGUNAEAZWSIKHIQ-UHFFFAOYSA-N
XLogP6.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methylpentadecane;2-methylprop-2-enoic acid?
The IUPAC name of 2-methylpentadecane;2-methylprop-2-enoic acid (CID 118483303) is 2-methylpentadecane;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-methylpentadecane;2-methylprop-2-enoic acid?
The canonical SMILES for 2-methylpentadecane;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCCCCCCCCCCCCC(C)C.
What is the InChIKey of 2-methylpentadecane;2-methylprop-2-enoic acid?
The InChIKey is GUNAEAZWSIKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C4H6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-3(2)4(5)6/h16H,4-15H2,1-3H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylpentadecane;2-methylprop-2-enoic acid?
2-methylpentadecane;2-methylprop-2-enoic acid has a molecular weight of 312.54 g/mol, XLogP of 6.99, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentadecane;2-methylprop-2-enoic acid is sourced from PubChem (CID 118483303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).