2,7-dimethyloct-6-enal

C10H18O — CID 10103362

IUPAC2,7-dimethyloct-6-enal
SMILESCC(C)=CCCCC(C)C=O
InChIInChI=1S/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3
InChIKeyRRPLNOVWTWPBFK-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 2,7-dimethyloct-6-enal

2,7-dimethyloct-6-enal (PubChem CID 10103362) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,7-dimethyloct-6-enal.

Molecular Properties

Compound Name2,7-dimethyloct-6-enal
PubChem CID10103362
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,7-dimethyloct-6-enal
SMILESCC(C)=CCCCC(C)C=O
InChIInChI=1S/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3
InChIKeyRRPLNOVWTWPBFK-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyloct-6-enal?
The IUPAC name of 2,7-dimethyloct-6-enal (CID 10103362) is 2,7-dimethyloct-6-enal.
What is the SMILES notation for 2,7-dimethyloct-6-enal?
The canonical SMILES for 2,7-dimethyloct-6-enal is CC(C)=CCCCC(C)C=O.
What is the InChIKey of 2,7-dimethyloct-6-enal?
The InChIKey is RRPLNOVWTWPBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)6-4-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3.
What are the key properties of 2,7-dimethyloct-6-enal?
2,7-dimethyloct-6-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyloct-6-enal is sourced from PubChem (CID 10103362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).