3-hydroxy-7-methylnonanal

C10H20O2 — CID 87290998

IUPAC3-hydroxy-7-methylnonanal
SMILESCCC(C)CCCC(O)CC=O
InChIInChI=1S/C10H20O2/c1-3-9(2)5-4-6-10(12)7-8-11/h8-10,12H,3-7H2,1-2H3
InChIKeyBJPVYPMFKVGXNI-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds7

About 3-hydroxy-7-methylnonanal

3-hydroxy-7-methylnonanal (PubChem CID 87290998) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-hydroxy-7-methylnonanal.

Molecular Properties

Compound Name3-hydroxy-7-methylnonanal
PubChem CID87290998
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-hydroxy-7-methylnonanal
SMILESCCC(C)CCCC(O)CC=O
InChIInChI=1S/C10H20O2/c1-3-9(2)5-4-6-10(12)7-8-11/h8-10,12H,3-7H2,1-2H3
InChIKeyBJPVYPMFKVGXNI-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methylnonanal?
The IUPAC name of 3-hydroxy-7-methylnonanal (CID 87290998) is 3-hydroxy-7-methylnonanal.
What is the SMILES notation for 3-hydroxy-7-methylnonanal?
The canonical SMILES for 3-hydroxy-7-methylnonanal is CCC(C)CCCC(O)CC=O.
What is the InChIKey of 3-hydroxy-7-methylnonanal?
The InChIKey is BJPVYPMFKVGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-9(2)5-4-6-10(12)7-8-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 3-hydroxy-7-methylnonanal?
3-hydroxy-7-methylnonanal has a molecular weight of 172.27 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methylnonanal is sourced from PubChem (CID 87290998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).