3-methylideneheptanal

C8H14O — CID 20565056

IUPAC3-methylideneheptanal
SMILESC=C(CC=O)CCCC
InChIInChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h7H,2-6H2,1H3
InChIKeyHVMMRMUADDRFPW-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds5

About 3-methylideneheptanal

3-methylideneheptanal (PubChem CID 20565056) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methylideneheptanal.

Molecular Properties

Compound Name3-methylideneheptanal
PubChem CID20565056
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methylideneheptanal
SMILESC=C(CC=O)CCCC
InChIInChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h7H,2-6H2,1H3
InChIKeyHVMMRMUADDRFPW-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

2-Methylenehexanal
CID 70612
7-Octenal
CID 88947
Undecanal, 2-methylene-
CID 89705
Decanal, 2-methylene-
CID 89706
Heptanal, 2-methylene-
CID 77776
4-Methylpent-4-enal
CID 10197635
7-Nonenal, 8-methyl-
CID 9855537
8-Methyl-4-methylidenenon-7-enal
CID 59294718
2-Methylene-octanal
CID 11205795
InChI=1/C8H10O2/c1-7(3-5-9)8(2)4-6-10/h5-6H,1-4H
CID 5323603
11-Methyldodec-10-enal
CID 11367597
2-Methylidenedodecanal
CID 12207566

Frequently Asked Questions

What is the IUPAC name of 3-methylideneheptanal?
The IUPAC name of 3-methylideneheptanal (CID 20565056) is 3-methylideneheptanal.
What is the SMILES notation for 3-methylideneheptanal?
The canonical SMILES for 3-methylideneheptanal is C=C(CC=O)CCCC.
What is the InChIKey of 3-methylideneheptanal?
The InChIKey is HVMMRMUADDRFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h7H,2-6H2,1H3.
What are the key properties of 3-methylideneheptanal?
3-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 3-methylideneheptanal is sourced from PubChem (CID 20565056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).