2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid

C186H372O12 — CID 173164625

IUPAC2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H68O2.2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30(31)32)27-25-23-21-19-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-18-20-22-24-26-27(28(29)30)25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36);2*31H,3-30H2,1-2H3,(H,33,34);2*29H,3-28H2,1-2H3,(H,31,32);27H,3-26H2,1-2H3,(H,29,30)
InChIKeyNMHIHMPULDARGV-UHFFFAOYSA-N
MW2801.01 g/mol
LogP67.56
Rot. Bonds168

About 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid

2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid (PubChem CID 173164625) has the molecular formula C186H372O12 and a molecular weight of 2801.01 g/mol. Its IUPAC name is 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid.

Molecular Properties

Compound Name2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
PubChem CID173164625
Molecular FormulaC186H372O12
Molecular Weight2801.01 g/mol
Exact Mass2798.85
IUPAC Name2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O
InChIInChI=1S/C34H68O2.2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30(31)32)27-25-23-21-19-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-18-20-22-24-26-27(28(29)30)25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36);2*31H,3-30H2,1-2H3,(H,33,34);2*29H,3-28H2,1-2H3,(H,31,32);27H,3-26H2,1-2H3,(H,29,30)
InChIKeyNMHIHMPULDARGV-UHFFFAOYSA-N
XLogP67.56
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds168
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.01
LogP ≤ 567.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-hexylnonanoic acid
CID 18521424
2-undecyltridecanoic acid;hydrate
CID 162315261
(2S)-2-butyldecanoic acid
CID 98176194

Frequently Asked Questions

What is the IUPAC name of 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid?
The IUPAC name of 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid (CID 173164625) is 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid.
What is the SMILES notation for 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid?
The canonical SMILES for 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid is CCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C(=O)O.CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid?
The InChIKey is NMHIHMPULDARGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H68O2.2C32H64O2.2C30H60O2.C28H56O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34(35)36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-31(32(33)34)29-27-25-23-21-19-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-29(30(31)32)27-25-23-21-19-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-23-25-27-29(30(31)32)28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-13-15-16-18-20-22-24-26-27(28(29)30)25-23-21-19-17-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H,35,36);2*31H,3-30H2,1-2H3,(H,33,34);2*29H,3-28H2,1-2H3,(H,31,32);27H,3-26H2,1-2H3,(H,29,30).
What are the key properties of 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid?
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid has a molecular weight of 2801.01 g/mol, XLogP of 67.56, 168 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid is sourced from PubChem (CID 173164625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).