4-methylideneheptanal

C8H14O — CID 130026370

IUPAC4-methylideneheptanal
SMILESC=C(CCC)CCC=O
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h7H,2-6H2,1H3
InChIKeyUZWPBMBXRGRZCQ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds5

About 4-methylideneheptanal

4-methylideneheptanal (PubChem CID 130026370) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4-methylideneheptanal.

Molecular Properties

Compound Name4-methylideneheptanal
PubChem CID130026370
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4-methylideneheptanal
SMILESC=C(CCC)CCC=O
InChIInChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h7H,2-6H2,1H3
InChIKeyUZWPBMBXRGRZCQ-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.32
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

4,7-dimethylidenedecane
CID 543440
ethane;5-methylideneoct-1-ene;2-methylprop-1-ene
CID 142462861
2,6-dimethyl-10-methylidenetrideca-2,6-diene
CID 141408483
7-methylidenedec-1-ene
CID 123417470
5-methylidene-4-propan-2-ylideneheptanal
CID 12585701
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
butanal;propane
CID 142417026
alumane;butanal
CID 175259224
butanal;dihydrate
CID 144519369
3-methylidenehexanoic acid
CID 13159263
N-ethyl-N-methyl-3-methylidenehexan-1-amine
CID 126728192

Frequently Asked Questions

What is the IUPAC name of 4-methylideneheptanal?
The IUPAC name of 4-methylideneheptanal (CID 130026370) is 4-methylideneheptanal.
What is the SMILES notation for 4-methylideneheptanal?
The canonical SMILES for 4-methylideneheptanal is C=C(CCC)CCC=O.
What is the InChIKey of 4-methylideneheptanal?
The InChIKey is UZWPBMBXRGRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(2)6-4-7-9/h7H,2-6H2,1H3.
What are the key properties of 4-methylideneheptanal?
4-methylideneheptanal has a molecular weight of 126.20 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneheptanal is sourced from PubChem (CID 130026370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).