4,7-dimethylnonanal

C11H22O — CID 87290996

IUPAC4,7-dimethylnonanal
SMILESCCC(C)CCC(C)CCC=O
InChIInChI=1S/C11H22O/c1-4-10(2)7-8-11(3)6-5-9-12/h9-11H,4-8H2,1-3H3
InChIKeySBKYQEKLZRAXFO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.43
Rot. Bonds7

About 4,7-dimethylnonanal

4,7-dimethylnonanal (PubChem CID 87290996) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4,7-dimethylnonanal.

Molecular Properties

Compound Name4,7-dimethylnonanal
PubChem CID87290996
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4,7-dimethylnonanal
SMILESCCC(C)CCC(C)CCC=O
InChIInChI=1S/C11H22O/c1-4-10(2)7-8-11(3)6-5-9-12/h9-11H,4-8H2,1-3H3
InChIKeySBKYQEKLZRAXFO-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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4,6-dimethylheptanal
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(4S)-5-hydroxy-4-methylpentanal
CID 172722618
(4R)-5-hydroxy-4-methylpentanal
CID 130949697
triethyl(3-oxopropyl)phosphanium
CID 89178953
(3R,6S)-3,6-dimethyldecane
CID 170848353
3-methylpentane;pentanal
CID 142027921
(3R,6R)-3,6-dimethylnonane
CID 170848352
(3R,7R)-3,7-dimethylnonane
CID 42626759
methane;4-methylpentanal
CID 87157049

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylnonanal?
The IUPAC name of 4,7-dimethylnonanal (CID 87290996) is 4,7-dimethylnonanal.
What is the SMILES notation for 4,7-dimethylnonanal?
The canonical SMILES for 4,7-dimethylnonanal is CCC(C)CCC(C)CCC=O.
What is the InChIKey of 4,7-dimethylnonanal?
The InChIKey is SBKYQEKLZRAXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-10(2)7-8-11(3)6-5-9-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 4,7-dimethylnonanal?
4,7-dimethylnonanal has a molecular weight of 170.30 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylnonanal is sourced from PubChem (CID 87290996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).