7-methyl-3-methylideneoct-7-enal

C10H16O — CID 21130789

IUPAC7-methyl-3-methylideneoct-7-enal
SMILESC=C(C)CCCC(=C)CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h8H,1,3-7H2,2H3
InChIKeyUFSIJFMUTQBXLA-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds6

About 7-methyl-3-methylideneoct-7-enal

7-methyl-3-methylideneoct-7-enal (PubChem CID 21130789) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-methyl-3-methylideneoct-7-enal.

Molecular Properties

Compound Name7-methyl-3-methylideneoct-7-enal
PubChem CID21130789
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name7-methyl-3-methylideneoct-7-enal
SMILESC=C(C)CCCC(=C)CC=O
InChIInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h8H,1,3-7H2,2H3
InChIKeyUFSIJFMUTQBXLA-UHFFFAOYSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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'}

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Related Compounds

10-Undecenal
CID 8187
9-Decenal
CID 162392
8-Nonenal
CID 161998
alpha-Citronellal
CID 101628
Undecanal, 2-methylene-
CID 89705
Decanal, 2-methylene-
CID 89706
Tetradec-13-enal
CID 522841
11-Dodecenal
CID 3016614
Heptanal, 2-methylene-
CID 77776
7-Nonenal, 8-methyl-
CID 9855537
alpha-Citronellal, (S)-
CID 72941617
4,8-Dimethylnon-8-enal
CID 129749352

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-methylideneoct-7-enal?
The IUPAC name of 7-methyl-3-methylideneoct-7-enal (CID 21130789) is 7-methyl-3-methylideneoct-7-enal.
What is the SMILES notation for 7-methyl-3-methylideneoct-7-enal?
The canonical SMILES for 7-methyl-3-methylideneoct-7-enal is C=C(C)CCCC(=C)CC=O.
What is the InChIKey of 7-methyl-3-methylideneoct-7-enal?
The InChIKey is UFSIJFMUTQBXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h8H,1,3-7H2,2H3.
What are the key properties of 7-methyl-3-methylideneoct-7-enal?
7-methyl-3-methylideneoct-7-enal has a molecular weight of 152.24 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-methylideneoct-7-enal is sourced from PubChem (CID 21130789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).