(E)-3,7,11,15-tetramethylhexadec-2-enoic acid

C20H38O2 — CID 5312330

IUPAC(E)-3,7,11,15-tetramethylhexadec-2-enoic acid
SMILESC/C(=C\C(=O)O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+
InChIKeyWDWBNNBRPVEEOD-XDJHFCHBSA-N
MW310.52 g/mol
LogP6.46
Rot. Bonds13

About (E)-3,7,11,15-tetramethylhexadec-2-enoic acid

(E)-3,7,11,15-tetramethylhexadec-2-enoic acid (PubChem CID 5312330) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is (E)-3,7,11,15-tetramethylhexadec-2-enoic acid.

Molecular Properties

Compound Name(E)-3,7,11,15-tetramethylhexadec-2-enoic acid
PubChem CID5312330
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name(E)-3,7,11,15-tetramethylhexadec-2-enoic acid
SMILESC/C(=C\C(=O)O)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+
InChIKeyWDWBNNBRPVEEOD-XDJHFCHBSA-N
XLogP6.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The IUPAC name of (E)-3,7,11,15-tetramethylhexadec-2-enoic acid (CID 5312330) is (E)-3,7,11,15-tetramethylhexadec-2-enoic acid.
What is the SMILES notation for (E)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The canonical SMILES for (E)-3,7,11,15-tetramethylhexadec-2-enoic acid is C/C(=C\C(=O)O)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-3,7,11,15-tetramethylhexadec-2-enoic acid?
The InChIKey is WDWBNNBRPVEEOD-XDJHFCHBSA-N. The full InChI is InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+.
What are the key properties of (E)-3,7,11,15-tetramethylhexadec-2-enoic acid?
(E)-3,7,11,15-tetramethylhexadec-2-enoic acid has a molecular weight of 310.52 g/mol, XLogP of 6.46, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7,11,15-tetramethylhexadec-2-enoic acid is sourced from PubChem (CID 5312330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).