2-(7-methylnonan-4-yl)benzaldehyde

C17H26O — CID 143620892

IUPAC2-(7-methylnonan-4-yl)benzaldehyde
SMILESCCCC(CCC(C)CC)c1ccccc1C=O
InChIInChI=1S/C17H26O/c1-4-8-15(12-11-14(3)5-2)17-10-7-6-9-16(17)13-18/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3
InChIKeyYLUCCMXDEUWYCQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP5.21
Rot. Bonds8

About 2-(7-methylnonan-4-yl)benzaldehyde

2-(7-methylnonan-4-yl)benzaldehyde (PubChem CID 143620892) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-(7-methylnonan-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-(7-methylnonan-4-yl)benzaldehyde
PubChem CID143620892
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name2-(7-methylnonan-4-yl)benzaldehyde
SMILESCCCC(CCC(C)CC)c1ccccc1C=O
InChIInChI=1S/C17H26O/c1-4-8-15(12-11-14(3)5-2)17-10-7-6-9-16(17)13-18/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3
InChIKeyYLUCCMXDEUWYCQ-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.21
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

1-methyl-2-(7-methylnonan-4-yl)benzene
CID 143620943
butane;N-methyl-4H-chromen-3-imine;2-(7-methylnonan-4-yl)benzaldehyde;N-methylpropan-1-amine
CID 143620891
2-(1-phenoxybutyl)benzaldehyde
CID 174592510
2-(1-hydroxypropyl)benzaldehyde
CID 22057055
1-ethenyl-2-octan-4-ylbenzene
CID 143490700
2-(2,4-dimethylpentan-3-yl)benzaldehyde
CID 21290471
(2-formylphenyl) 3-methylpentanoate
CID 145320755
1-[4-(7-methylnonan-4-yl)phenyl]ethanone
CID 143452175
ethane;1-ethyl-2-hexan-3-ylbenzene
CID 165145601
2-(dibromomethyl)benzaldehyde
CID 15212101
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
2-hydroxy-3-[(1R)-1-phenylpropyl]benzaldehyde
CID 12066885

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnonan-4-yl)benzaldehyde?
The IUPAC name of 2-(7-methylnonan-4-yl)benzaldehyde (CID 143620892) is 2-(7-methylnonan-4-yl)benzaldehyde.
What is the SMILES notation for 2-(7-methylnonan-4-yl)benzaldehyde?
The canonical SMILES for 2-(7-methylnonan-4-yl)benzaldehyde is CCCC(CCC(C)CC)c1ccccc1C=O.
What is the InChIKey of 2-(7-methylnonan-4-yl)benzaldehyde?
The InChIKey is YLUCCMXDEUWYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-4-8-15(12-11-14(3)5-2)17-10-7-6-9-16(17)13-18/h6-7,9-10,13-15H,4-5,8,11-12H2,1-3H3.
What are the key properties of 2-(7-methylnonan-4-yl)benzaldehyde?
2-(7-methylnonan-4-yl)benzaldehyde has a molecular weight of 246.39 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnonan-4-yl)benzaldehyde is sourced from PubChem (CID 143620892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).