5,9-dimethyl-2-propan-2-yldec-8-enoic acid

C15H28O2 — CID 87889859

IUPAC5,9-dimethyl-2-propan-2-yldec-8-enoic acid
SMILESCC(C)=CCCC(C)CCC(C(=O)O)C(C)C
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17)
InChIKeyCDEWIMIXQLHIIP-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.51
Rot. Bonds8

About 5,9-dimethyl-2-propan-2-yldec-8-enoic acid

5,9-dimethyl-2-propan-2-yldec-8-enoic acid (PubChem CID 87889859) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 5,9-dimethyl-2-propan-2-yldec-8-enoic acid.

Molecular Properties

Compound Name5,9-dimethyl-2-propan-2-yldec-8-enoic acid
PubChem CID87889859
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name5,9-dimethyl-2-propan-2-yldec-8-enoic acid
SMILESCC(C)=CCCC(C)CCC(C(=O)O)C(C)C
InChIInChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17)
InChIKeyCDEWIMIXQLHIIP-UHFFFAOYSA-N
XLogP4.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The IUPAC name of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid (CID 87889859) is 5,9-dimethyl-2-propan-2-yldec-8-enoic acid.
What is the SMILES notation for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The canonical SMILES for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid is CC(C)=CCCC(C)CCC(C(=O)O)C(C)C.
What is the InChIKey of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
The InChIKey is CDEWIMIXQLHIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-11(2)7-6-8-13(5)9-10-14(12(3)4)15(16)17/h7,12-14H,6,8-10H2,1-5H3,(H,16,17).
What are the key properties of 5,9-dimethyl-2-propan-2-yldec-8-enoic acid?
5,9-dimethyl-2-propan-2-yldec-8-enoic acid has a molecular weight of 240.39 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-2-propan-2-yldec-8-enoic acid is sourced from PubChem (CID 87889859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).