3,7-dimethylocta-2,6-dienal

C10H16O — CID 8843

IUPAC3,7-dimethylocta-2,6-dienal
SMILESCC(C)=CCCC(C)=CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKeyWTEVQBCEXWBHNA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds4

About 3,7-dimethylocta-2,6-dienal

3,7-dimethylocta-2,6-dienal (PubChem CID 8843) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3,7-dimethylocta-2,6-dienal.

Molecular Properties

Compound Name3,7-dimethylocta-2,6-dienal
PubChem CID8843
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3,7-dimethylocta-2,6-dienal
SMILESCC(C)=CCCC(C)=CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
InChIKeyWTEVQBCEXWBHNA-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 175955047
CID 175955047
(2E)-3,7-dimethylocta-2,6-dienal;prop-2-enal
CID 87385613
3,7-dimethylocta-2,6-dienal;thiourea
CID 175295951
butan-1-ol;3,7-dimethylocta-2,6-dienal
CID 175220199
3,7,11-trimethyldodeca-2,6,10-trienal;3,7,11-trimethyldodeca-2,6,10-trienoic acid
CID 175832885
3,7,11-trimethyldodeca-2,4,6,10-tetraenal
CID 549769
1,1-diethoxyethane;3,7-dimethylocta-2,6-dienal;propane-1,2,3-triol
CID 88617273
2-ethyl-5,9-dimethyldeca-2,4,8-trienal
CID 3020531
(4Z)-2-ethyl-5,9-dimethyldeca-2,4,8-trienal
CID 165348110
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(2E)-3,7-dimethylocta-2,6-dienal;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 87439428

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylocta-2,6-dienal?
The IUPAC name of 3,7-dimethylocta-2,6-dienal (CID 8843) is 3,7-dimethylocta-2,6-dienal.
What is the SMILES notation for 3,7-dimethylocta-2,6-dienal?
The canonical SMILES for 3,7-dimethylocta-2,6-dienal is CC(C)=CCCC(C)=CC=O.
What is the InChIKey of 3,7-dimethylocta-2,6-dienal?
The InChIKey is WTEVQBCEXWBHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 3,7-dimethylocta-2,6-dienal?
3,7-dimethylocta-2,6-dienal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylocta-2,6-dienal is sourced from PubChem (CID 8843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).