5,5-dimethyl-4-methylidenehexanal

C9H16O — CID 10986319

IUPAC5,5-dimethyl-4-methylidenehexanal
SMILESC=C(CCC=O)C(C)(C)C
InChIInChI=1S/C9H16O/c1-8(6-5-7-10)9(2,3)4/h7H,1,5-6H2,2-4H3
InChIKeyCYXXSGLCFTYZNV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.57
Rot. Bonds3

About 5,5-dimethyl-4-methylidenehexanal

5,5-dimethyl-4-methylidenehexanal (PubChem CID 10986319) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidenehexanal.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidenehexanal
PubChem CID10986319
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5,5-dimethyl-4-methylidenehexanal
SMILESC=C(CCC=O)C(C)(C)C
InChIInChI=1S/C9H16O/c1-8(6-5-7-10)9(2,3)4/h7H,1,5-6H2,2-4H3
InChIKeyCYXXSGLCFTYZNV-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidenehexanal?
The IUPAC name of 5,5-dimethyl-4-methylidenehexanal (CID 10986319) is 5,5-dimethyl-4-methylidenehexanal.
What is the SMILES notation for 5,5-dimethyl-4-methylidenehexanal?
The canonical SMILES for 5,5-dimethyl-4-methylidenehexanal is C=C(CCC=O)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidenehexanal?
The InChIKey is CYXXSGLCFTYZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-8(6-5-7-10)9(2,3)4/h7H,1,5-6H2,2-4H3.
What are the key properties of 5,5-dimethyl-4-methylidenehexanal?
5,5-dimethyl-4-methylidenehexanal has a molecular weight of 140.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidenehexanal is sourced from PubChem (CID 10986319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).