7,7,14-trimethylpentadecanoic acid

C18H36O2 — CID 91490028

IUPAC7,7,14-trimethylpentadecanoic acid
SMILESCC(C)CCCCCCC(C)(C)CCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-16(2)12-8-5-6-10-14-18(3,4)15-11-7-9-13-17(19)20/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyISTUWUGZTKBVLC-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.04
Rot. Bonds13

About 7,7,14-trimethylpentadecanoic acid

7,7,14-trimethylpentadecanoic acid (PubChem CID 91490028) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 7,7,14-trimethylpentadecanoic acid.

Molecular Properties

Compound Name7,7,14-trimethylpentadecanoic acid
PubChem CID91490028
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name7,7,14-trimethylpentadecanoic acid
SMILESCC(C)CCCCCCC(C)(C)CCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-16(2)12-8-5-6-10-14-18(3,4)15-11-7-9-13-17(19)20/h16H,5-15H2,1-4H3,(H,19,20)
InChIKeyISTUWUGZTKBVLC-UHFFFAOYSA-N
XLogP6.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
16-methylheptadecanoic acid
CID 87200881
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
2,2-bis(8-methylnonyl)nonanedioic acid
CID 19001151
λ2-plumbane;6-methylheptanoic acid
CID 175289081

Frequently Asked Questions

What is the IUPAC name of 7,7,14-trimethylpentadecanoic acid?
The IUPAC name of 7,7,14-trimethylpentadecanoic acid (CID 91490028) is 7,7,14-trimethylpentadecanoic acid.
What is the SMILES notation for 7,7,14-trimethylpentadecanoic acid?
The canonical SMILES for 7,7,14-trimethylpentadecanoic acid is CC(C)CCCCCCC(C)(C)CCCCCC(=O)O.
What is the InChIKey of 7,7,14-trimethylpentadecanoic acid?
The InChIKey is ISTUWUGZTKBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-16(2)12-8-5-6-10-14-18(3,4)15-11-7-9-13-17(19)20/h16H,5-15H2,1-4H3,(H,19,20).
What are the key properties of 7,7,14-trimethylpentadecanoic acid?
7,7,14-trimethylpentadecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 6.04, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,14-trimethylpentadecanoic acid is sourced from PubChem (CID 91490028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).