16-methylheptadecanoic acid;tetradecane

C32H66O2 — CID 162095206

IUPAC16-methylheptadecanoic acid;tetradecane
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC
InChIInChI=1S/C18H36O2.C14H30/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20);3-14H2,1-2H3
InChIKeyZEDQEPDKFSBKRL-UHFFFAOYSA-N
MW482.88 g/mol
LogP11.90
Rot. Bonds26

About 16-methylheptadecanoic acid;tetradecane

16-methylheptadecanoic acid;tetradecane (PubChem CID 162095206) has the molecular formula C32H66O2 and a molecular weight of 482.88 g/mol. Its IUPAC name is 16-methylheptadecanoic acid;tetradecane.

Molecular Properties

Compound Name16-methylheptadecanoic acid;tetradecane
PubChem CID162095206
Molecular FormulaC32H66O2
Molecular Weight482.88 g/mol
Exact Mass482.51
IUPAC Name16-methylheptadecanoic acid;tetradecane
SMILESCC(C)CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC
InChIInChI=1S/C18H36O2.C14H30/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20);3-14H2,1-2H3
InChIKeyZEDQEPDKFSBKRL-UHFFFAOYSA-N
XLogP11.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.88
LogP ≤ 511.90
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

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Frequently Asked Questions

What is the IUPAC name of 16-methylheptadecanoic acid;tetradecane?
The IUPAC name of 16-methylheptadecanoic acid;tetradecane (CID 162095206) is 16-methylheptadecanoic acid;tetradecane.
What is the SMILES notation for 16-methylheptadecanoic acid;tetradecane?
The canonical SMILES for 16-methylheptadecanoic acid;tetradecane is CC(C)CCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC.
What is the InChIKey of 16-methylheptadecanoic acid;tetradecane?
The InChIKey is ZEDQEPDKFSBKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C14H30/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-5-7-9-11-13-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20);3-14H2,1-2H3.
What are the key properties of 16-methylheptadecanoic acid;tetradecane?
16-methylheptadecanoic acid;tetradecane has a molecular weight of 482.88 g/mol, XLogP of 11.90, 26 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methylheptadecanoic acid;tetradecane is sourced from PubChem (CID 162095206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).