3,8-dimethylnon-2-enal

C11H20O — CID 91613839

IUPAC3,8-dimethylnon-2-enal
SMILESCC(=CC=O)CCCCC(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-4-5-7-11(3)8-9-12/h8-10H,4-7H2,1-3H3
InChIKeyGHEJNQFOHWHQTM-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About 3,8-dimethylnon-2-enal

3,8-dimethylnon-2-enal (PubChem CID 91613839) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,8-dimethylnon-2-enal.

Molecular Properties

Compound Name3,8-dimethylnon-2-enal
PubChem CID91613839
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,8-dimethylnon-2-enal
SMILESCC(=CC=O)CCCCC(C)C
InChIInChI=1S/C11H20O/c1-10(2)6-4-5-7-11(3)8-9-12/h8-10H,4-7H2,1-3H3
InChIKeyGHEJNQFOHWHQTM-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
3-methyloct-2-enal
CID 54333143
(3Z,5E)-2,6,11-trimethyldodeca-1,3,5-triene
CID 142155642
4,9-dimethyldec-3-ene
CID 91170380
3,12-dimethyltridec-2-enoic acid
CID 54254777
18-methylnonadecan-2-one
CID 90921447
8-methylnonan-2-one
CID 528744
λ2-plumbane;6-methylheptanoic acid
CID 175289081
(2E,6E)-3,6,8,11-tetramethyldodeca-2,6,10-trienal
CID 139299568
(E)-4,8-dimethylnon-3-ene
CID 22743489
(3E,5E,7E,9E)-2,6,10,15,19,23-hexamethyltetracosa-1,3,5,7,9-pentaene
CID 21160005

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethylnon-2-enal?
The IUPAC name of 3,8-dimethylnon-2-enal (CID 91613839) is 3,8-dimethylnon-2-enal.
What is the SMILES notation for 3,8-dimethylnon-2-enal?
The canonical SMILES for 3,8-dimethylnon-2-enal is CC(=CC=O)CCCCC(C)C.
What is the InChIKey of 3,8-dimethylnon-2-enal?
The InChIKey is GHEJNQFOHWHQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)6-4-5-7-11(3)8-9-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 3,8-dimethylnon-2-enal?
3,8-dimethylnon-2-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 3,8-dimethylnon-2-enal is sourced from PubChem (CID 91613839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).