(E)-3,7-dimethylnon-6-enal

C11H20O — CID 5364568

IUPAC(E)-3,7-dimethylnon-6-enal
SMILESCC/C(C)=C/CCC(C)CC=O
InChIInChI=1S/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,9,11H,4-5,7-8H2,1-3H3/b10-6+
InChIKeyJFFUZMNCDKUJSH-UXBLZVDNSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About (E)-3,7-dimethylnon-6-enal

(E)-3,7-dimethylnon-6-enal (PubChem CID 5364568) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-3,7-dimethylnon-6-enal.

Molecular Properties

Compound Name(E)-3,7-dimethylnon-6-enal
PubChem CID5364568
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-3,7-dimethylnon-6-enal
SMILESCC/C(C)=C/CCC(C)CC=O
InChIInChI=1S/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,9,11H,4-5,7-8H2,1-3H3/b10-6+
InChIKeyJFFUZMNCDKUJSH-UXBLZVDNSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.35
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

Citronellal
CID 7794
Perillaldehyde
CID 16441
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
(+-)-2,6-Dimethyl-5-heptenal
CID 61016
alpha-Campholenal
CID 1252759
Perillaldehyde, (-)-
CID 2724159
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
alpha-Cyclocitral
CID 94143
1-p-Menthen-9-al
CID 520440
(S)-(-)-Citronellal
CID 443157
3-Cyclopentene-1-acetaldehyde, 2,2,3-trimethyl-
CID 98497
Vertonal
CID 101150

Frequently Asked Questions

What is the IUPAC name of (E)-3,7-dimethylnon-6-enal?
The IUPAC name of (E)-3,7-dimethylnon-6-enal (CID 5364568) is (E)-3,7-dimethylnon-6-enal.
What is the SMILES notation for (E)-3,7-dimethylnon-6-enal?
The canonical SMILES for (E)-3,7-dimethylnon-6-enal is CC/C(C)=C/CCC(C)CC=O.
What is the InChIKey of (E)-3,7-dimethylnon-6-enal?
The InChIKey is JFFUZMNCDKUJSH-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H20O/c1-4-10(2)6-5-7-11(3)8-9-12/h6,9,11H,4-5,7-8H2,1-3H3/b10-6+.
What are the key properties of (E)-3,7-dimethylnon-6-enal?
(E)-3,7-dimethylnon-6-enal has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethylnon-6-enal is sourced from PubChem (CID 5364568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).