3,7-dimethyloct-6-enoic acid

C10H18O2 — CID 10402

IUPAC3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCCC(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyGJWSUKYXUMVMGX-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.84
Rot. Bonds5

About 3,7-dimethyloct-6-enoic acid

3,7-dimethyloct-6-enoic acid (PubChem CID 10402) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3,7-dimethyloct-6-enoic acid.

Molecular Properties

Compound Name3,7-dimethyloct-6-enoic acid
PubChem CID10402
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3,7-dimethyloct-6-enoic acid
SMILESCC(C)=CCCC(C)CC(=O)O
InChIInChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12)
InChIKeyGJWSUKYXUMVMGX-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl rhodinolate
CID 61290
chrysanthemic acid d-trans-form
CID 16747
Hexanoic acid, 3,7-dimethyl-6-octen-1-yl ester
CID 114416
Chrysanthemic Acid
CID 2743
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
Chrysanthemic acid, cis-(-)-
CID 20755
6-Decenoic acid, (6E)-
CID 5362594
4-Methylcyclohex-4-ene-1,2-dicarboxylic acid
CID 263032
(6E)-8-Methyl-6-nonenoic acid
CID 5365959
Chrysanthemic acid, trans-(-)-
CID 33607
Chrysanthemic acid, cis-(+)-
CID 33606
6-Methylcyclohex-3-ene-1-carboxylic acid
CID 221278

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-enoic acid?
The IUPAC name of 3,7-dimethyloct-6-enoic acid (CID 10402) is 3,7-dimethyloct-6-enoic acid.
What is the SMILES notation for 3,7-dimethyloct-6-enoic acid?
The canonical SMILES for 3,7-dimethyloct-6-enoic acid is CC(C)=CCCC(C)CC(=O)O.
What is the InChIKey of 3,7-dimethyloct-6-enoic acid?
The InChIKey is GJWSUKYXUMVMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,9H,4,6-7H2,1-3H3,(H,11,12).
What are the key properties of 3,7-dimethyloct-6-enoic acid?
3,7-dimethyloct-6-enoic acid has a molecular weight of 170.25 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-enoic acid is sourced from PubChem (CID 10402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).