cyclohexene;6-methylheptanoic acid

C14H26O2 — CID 129275318

IUPACcyclohexene;6-methylheptanoic acid
SMILESC1=CCCCC1.CC(C)CCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H10/c1-7(2)5-3-4-6-8(9)10;1-2-4-6-5-3-1/h7H,3-6H2,1-2H3,(H,9,10);1-2H,3-6H2
InChIKeyBHJHKAYODOTZGG-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.40
Rot. Bonds5

About cyclohexene;6-methylheptanoic acid

cyclohexene;6-methylheptanoic acid (PubChem CID 129275318) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is cyclohexene;6-methylheptanoic acid.

Molecular Properties

Compound Namecyclohexene;6-methylheptanoic acid
PubChem CID129275318
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Namecyclohexene;6-methylheptanoic acid
SMILESC1=CCCCC1.CC(C)CCCCC(=O)O
InChIInChI=1S/C8H16O2.C6H10/c1-7(2)5-3-4-6-8(9)10;1-2-4-6-5-3-1/h7H,3-6H2,1-2H3,(H,9,10);1-2H,3-6H2
InChIKeyBHJHKAYODOTZGG-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methylheptanoic acid;vanadium
CID 174623955
λ2-plumbane;6-methylheptanoic acid
CID 175289081
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
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
sodium;hydride;6-methylheptanoic acid
CID 174475906
cyclohexene;bis(nonanoic acid)
CID 159857878
16-methylheptadecanoic acid;N-propan-2-ylpropan-2-amine
CID 175713444
12,17-dimethyloctadecanoic acid
CID 123475021

Frequently Asked Questions

What is the IUPAC name of cyclohexene;6-methylheptanoic acid?
The IUPAC name of cyclohexene;6-methylheptanoic acid (CID 129275318) is cyclohexene;6-methylheptanoic acid.
What is the SMILES notation for cyclohexene;6-methylheptanoic acid?
The canonical SMILES for cyclohexene;6-methylheptanoic acid is C1=CCCCC1.CC(C)CCCCC(=O)O.
What is the InChIKey of cyclohexene;6-methylheptanoic acid?
The InChIKey is BHJHKAYODOTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H10/c1-7(2)5-3-4-6-8(9)10;1-2-4-6-5-3-1/h7H,3-6H2,1-2H3,(H,9,10);1-2H,3-6H2.
What are the key properties of cyclohexene;6-methylheptanoic acid?
cyclohexene;6-methylheptanoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;6-methylheptanoic acid is sourced from PubChem (CID 129275318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).