2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid

C106H220N16O4 — CID 159447276

IUPAC2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(C)C(=O)O.CCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)N1CN=NN1
InChIInChI=1S/C20H42N4.C19H40N4.2C18H38N4.C16H32O2.C15H30O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(5-2,6-3)24-19-21-22-23-24;1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3,5-2)23-18-20-21-22-23;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)22-17-19-20-21-22;1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(4-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h4-19H2,1-3H3,(H,21,23);4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);18H,3-17H2,1-2H3,(H,19,21);4-14H2,1-3H3,(H,17,18);14H,3-13H2,1-2H3,(H,16,17)
InChIKeyLSXKPNKCMQYWQT-UHFFFAOYSA-N
MW1783.03 g/mol
LogP35.60
Rot. Bonds84

About 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid

2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid (PubChem CID 159447276) has the molecular formula C106H220N16O4 and a molecular weight of 1783.03 g/mol. Its IUPAC name is 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid.

Molecular Properties

Compound Name2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid
PubChem CID159447276
Molecular FormulaC106H220N16O4
Molecular Weight1783.03 g/mol
Exact Mass1781.75
IUPAC Name2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid
SMILESCCCCCCCCCCCCC(C)(C)C(=O)O.CCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)N1CN=NN1
InChIInChI=1S/C20H42N4.C19H40N4.2C18H38N4.C16H32O2.C15H30O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(5-2,6-3)24-19-21-22-23-24;1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3,5-2)23-18-20-21-22-23;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)22-17-19-20-21-22;1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(4-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h4-19H2,1-3H3,(H,21,23);4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);18H,3-17H2,1-2H3,(H,19,21);4-14H2,1-3H3,(H,17,18);14H,3-13H2,1-2H3,(H,16,17)
InChIKeyLSXKPNKCMQYWQT-UHFFFAOYSA-N
XLogP35.60
TPSA234.56 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds84
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.03
LogP ≤ 535.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid with MolForge

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Related Compounds

1-(3-ethylhexadecan-3-yl)-2,5-dihydrotetrazole;1-hexadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylhexadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylpentadecan-2-yl)-2,5-dihydrotetrazole;1-pentadecan-2-yl-2,5-dihydrotetrazole;1-tetradecyl-2,5-dihydrotetrazole
CID 159102652
1-(3-methylnonadecan-3-yl)-2,5-dihydrotetrazole
CID 138558370
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
2,2-dimethyldocosanoic acid
CID 23471202
heptane;2-methylheptadecanoic acid
CID 175511035
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792
2-methyloctanoic acid chloride
CID 86745562
magnesium;2,2-dimethyloctanoic acid;hydride
CID 173414745
methanol;2-methylheptanoic acid
CID 174821979
2-(2-ethylbutyl)-2,10-dimethylundecanedioic acid
CID 87569454
2,2-dimethylpropane;methanol;(2S)-2-methylheptanoic acid;propan-2-one
CID 178171776
2,9,10-trimethyloctadecanoic acid
CID 14298664

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid?
The IUPAC name of 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid (CID 159447276) is 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid.
What is the SMILES notation for 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid?
The canonical SMILES for 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid is CCCCCCCCCCCCC(C)(C)C(=O)O.CCCCCCCCCCCCC(C)C(=O)O.CCCCCCCCCCCCCCC(C)(C)N1CN=NN1.CCCCCCCCCCCCCCC(C)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)(CC)N1CN=NN1.CCCCCCCCCCCCCCC(CC)N1CN=NN1.
What is the InChIKey of 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid?
The InChIKey is LSXKPNKCMQYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4.C19H40N4.2C18H38N4.C16H32O2.C15H30O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20(5-2,6-3)24-19-21-22-23-24;1-4-6-7-8-9-10-11-12-13-14-15-16-17-19(3,5-2)23-18-20-21-22-23;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18(2,3)22-17-19-20-21-22;1-3-5-6-7-8-9-10-11-12-13-14-15-16-18(4-2)22-17-19-20-21-22;1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15(17)18;1-3-4-5-6-7-8-9-10-11-12-13-14(2)15(16)17/h4-19H2,1-3H3,(H,21,23);4-18H2,1-3H3,(H,20,22);4-17H2,1-3H3,(H,19,21);18H,3-17H2,1-2H3,(H,19,21);4-14H2,1-3H3,(H,17,18);14H,3-13H2,1-2H3,(H,16,17).
What are the key properties of 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid?
2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid has a molecular weight of 1783.03 g/mol, XLogP of 35.60, 84 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyltetradecanoic acid;1-(3-ethylheptadecan-3-yl)-2,5-dihydrotetrazole;1-heptadecan-3-yl-2,5-dihydrotetrazole;1-(3-methylheptadecan-3-yl)-2,5-dihydrotetrazole;1-(2-methylhexadecan-2-yl)-2,5-dihydrotetrazole;2-methyltetradecanoic acid is sourced from PubChem (CID 159447276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).