4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal

C15H26O — CID 166734043

IUPAC4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
SMILESC=C(C=O)C(C)C(CC)CC(C)C=C(C)C
InChIInChI=1S/C15H26O/c1-7-15(14(6)13(5)10-16)9-12(4)8-11(2)3/h8,10,12,14-15H,5,7,9H2,1-4,6H3
InChIKeyGSRSCTKVAGHUNB-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds7

About 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal

4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal (PubChem CID 166734043) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal.

Molecular Properties

Compound Name4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
PubChem CID166734043
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal
SMILESC=C(C=O)C(C)C(CC)CC(C)C=C(C)C
InChIInChI=1S/C15H26O/c1-7-15(14(6)13(5)10-16)9-12(4)8-11(2)3/h8,10,12,14-15H,5,7,9H2,1-4,6H3
InChIKeyGSRSCTKVAGHUNB-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal?
The IUPAC name of 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal (CID 166734043) is 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal.
What is the SMILES notation for 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal?
The canonical SMILES for 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal is C=C(C=O)C(C)C(CC)CC(C)C=C(C)C.
What is the InChIKey of 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal?
The InChIKey is GSRSCTKVAGHUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-7-15(14(6)13(5)10-16)9-12(4)8-11(2)3/h8,10,12,14-15H,5,7,9H2,1-4,6H3.
What are the key properties of 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal?
4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal has a molecular weight of 222.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,6,8-trimethyl-2-methylidenenon-7-enal is sourced from PubChem (CID 166734043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).