6-methylhept-5-enal

C8H14O — CID 11586306

IUPAC6-methylhept-5-enal
SMILESCC(C)=CCCCC=O
InChIInChI=1S/C8H14O/c1-8(2)6-4-3-5-7-9/h6-7H,3-5H2,1-2H3
InChIKeyGUIZUDCRTPIDCW-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.32
Rot. Bonds4

About 6-methylhept-5-enal

6-methylhept-5-enal (PubChem CID 11586306) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 6-methylhept-5-enal.

Molecular Properties

Compound Name6-methylhept-5-enal
PubChem CID11586306
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name6-methylhept-5-enal
SMILESCC(C)=CCCCC=O
InChIInChI=1S/C8H14O/c1-8(2)6-4-3-5-7-9/h6-7H,3-5H2,1-2H3
InChIKeyGUIZUDCRTPIDCW-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(+-)-2,6-Dimethyl-5-heptenal
CID 61016
cis-6-Nonenal
CID 5362720
2-Ethyl-3-propylacrolein
CID 5354264
2-Ethylidenehexanal
CID 5463946
5-Decenal, (5Z)-
CID 13940628
2-Ethyl-2-heptenal
CID 6435838
4-Nonenal, (4E)-
CID 5283337
Isocitral
CID 6428928
2-Butyl-2-octenal
CID 5362697
2-Ethyl-3-propylacrolein, (Z)-
CID 10997035
Oct-6-enal
CID 62220
5,9-Dimethyl-4,8-decadienal
CID 101854

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-5-enal?
The IUPAC name of 6-methylhept-5-enal (CID 11586306) is 6-methylhept-5-enal.
What is the SMILES notation for 6-methylhept-5-enal?
The canonical SMILES for 6-methylhept-5-enal is CC(C)=CCCCC=O.
What is the InChIKey of 6-methylhept-5-enal?
The InChIKey is GUIZUDCRTPIDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(2)6-4-3-5-7-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 6-methylhept-5-enal?
6-methylhept-5-enal has a molecular weight of 126.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-5-enal is sourced from PubChem (CID 11586306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).