6,7-dimethyloct-6-enal

C10H18O — CID 13486172

IUPAC6,7-dimethyloct-6-enal
SMILESCC(C)=C(C)CCCCC=O
InChIInChI=1S/C10H18O/c1-9(2)10(3)7-5-4-6-8-11/h8H,4-7H2,1-3H3
InChIKeyMRGWWLYBEFXMQV-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.10
Rot. Bonds5

About 6,7-dimethyloct-6-enal

6,7-dimethyloct-6-enal (PubChem CID 13486172) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6,7-dimethyloct-6-enal.

Molecular Properties

Compound Name6,7-dimethyloct-6-enal
PubChem CID13486172
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6,7-dimethyloct-6-enal
SMILESCC(C)=C(C)CCCCC=O
InChIInChI=1S/C10H18O/c1-9(2)10(3)7-5-4-6-8-11/h8H,4-7H2,1-3H3
InChIKeyMRGWWLYBEFXMQV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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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Related Compounds

7-Tetradecenal, (7Z)-
CID 5364468
6-Octenal, 7-methyl-3-methylene-
CID 108662
7-Decenal, (7Z)-
CID 5362695
2-Nonenal, 2-pentyl-
CID 5364551
(E)-7-Dodecenal
CID 6365589
7-Decenal, (7E)-
CID 5857489
Pentanal, 4-(4-methyl-3-cyclohexen-1-ylidene)-, (4Z)-
CID 3034735
(4E)-4-(4-Methyl-3-cyclohexen-1-ylidene)pentanal
CID 6504440
7-Dodecenal
CID 3017459
(E)-2-pentylnon-2-enal
CID 6443445
7-Tetradecenal
CID 5283367
(Z)-7-Dodecenal
CID 6430185

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyloct-6-enal?
The IUPAC name of 6,7-dimethyloct-6-enal (CID 13486172) is 6,7-dimethyloct-6-enal.
What is the SMILES notation for 6,7-dimethyloct-6-enal?
The canonical SMILES for 6,7-dimethyloct-6-enal is CC(C)=C(C)CCCCC=O.
What is the InChIKey of 6,7-dimethyloct-6-enal?
The InChIKey is MRGWWLYBEFXMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)10(3)7-5-4-6-8-11/h8H,4-7H2,1-3H3.
What are the key properties of 6,7-dimethyloct-6-enal?
6,7-dimethyloct-6-enal has a molecular weight of 154.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyloct-6-enal is sourced from PubChem (CID 13486172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).