6,6-dimethyloct-2-enal

C10H18O — CID 91307971

IUPAC6,6-dimethyloct-2-enal
SMILESCCC(C)(C)CCC=CC=O
InChIInChI=1S/C10H18O/c1-4-10(2,3)8-6-5-7-9-11/h5,7,9H,4,6,8H2,1-3H3
InChIKeyWHVUKADZWCXMDX-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds5

About 6,6-dimethyloct-2-enal

6,6-dimethyloct-2-enal (PubChem CID 91307971) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 6,6-dimethyloct-2-enal.

Molecular Properties

Compound Name6,6-dimethyloct-2-enal
PubChem CID91307971
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name6,6-dimethyloct-2-enal
SMILESCCC(C)(C)CCC=CC=O
InChIInChI=1S/C10H18O/c1-4-10(2,3)8-6-5-7-9-11/h5,7,9H,4,6,8H2,1-3H3
InChIKeyWHVUKADZWCXMDX-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-enal
CID 158800846
(2E)-nona-2,6-dienal
CID 6992048
(E)-pent-2-enal
CID 5364752
(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
hexa-2,4-dienal;nona-2,6-dienal
CID 175425892
(E)-5-chloropent-2-enal
CID 15636911
(2E,10Z)-trideca-2,10-dienal
CID 129221038
8-fluoro-7,7-dimethyloct-3-ene
CID 174848410
N-(3,3-dimethylpentyl)formamide
CID 143115994
(4E)-octa-2,4-dienal
CID 175603405

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyloct-2-enal?
The IUPAC name of 6,6-dimethyloct-2-enal (CID 91307971) is 6,6-dimethyloct-2-enal.
What is the SMILES notation for 6,6-dimethyloct-2-enal?
The canonical SMILES for 6,6-dimethyloct-2-enal is CCC(C)(C)CCC=CC=O.
What is the InChIKey of 6,6-dimethyloct-2-enal?
The InChIKey is WHVUKADZWCXMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-10(2,3)8-6-5-7-9-11/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 6,6-dimethyloct-2-enal?
6,6-dimethyloct-2-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 6,6-dimethyloct-2-enal is sourced from PubChem (CID 91307971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).