3-methyl-4-octan-2-yloxybenzaldehyde

C16H24O2 — CID 79117369

IUPAC3-methyl-4-octan-2-yloxybenzaldehyde
SMILESCCCCCCC(C)Oc1ccc(C=O)cc1C
InChIInChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16-10-9-15(12-17)11-13(16)2/h9-12,14H,4-8H2,1-3H3
InChIKeyYNYYYLJJPOZBAG-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.55
Rot. Bonds8

About 3-methyl-4-octan-2-yloxybenzaldehyde

3-methyl-4-octan-2-yloxybenzaldehyde (PubChem CID 79117369) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-methyl-4-octan-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-octan-2-yloxybenzaldehyde
PubChem CID79117369
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-methyl-4-octan-2-yloxybenzaldehyde
SMILESCCCCCCC(C)Oc1ccc(C=O)cc1C
InChIInChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16-10-9-15(12-17)11-13(16)2/h9-12,14H,4-8H2,1-3H3
InChIKeyYNYYYLJJPOZBAG-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-2-methyl-1-octan-2-yloxybenzene
CID 139784148
4-ethenyl-1-heptan-2-yloxy-2-methylbenzene
CID 139784088
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
2-[(2S)-octan-2-yl]oxybenzaldehyde
CID 36690507
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
(4-formylphenyl) 4-[(2S)-heptan-2-yl]oxybenzoate
CID 54148276
3-iodo-4-octan-2-yloxyaniline
CID 66093590
3-butoxy-4-methylbenzaldehyde
CID 91636264
3-methyl-4-pentan-2-yloxyaniline
CID 102980374

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-octan-2-yloxybenzaldehyde?
The IUPAC name of 3-methyl-4-octan-2-yloxybenzaldehyde (CID 79117369) is 3-methyl-4-octan-2-yloxybenzaldehyde.
What is the SMILES notation for 3-methyl-4-octan-2-yloxybenzaldehyde?
The canonical SMILES for 3-methyl-4-octan-2-yloxybenzaldehyde is CCCCCCC(C)Oc1ccc(C=O)cc1C.
What is the InChIKey of 3-methyl-4-octan-2-yloxybenzaldehyde?
The InChIKey is YNYYYLJJPOZBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16-10-9-15(12-17)11-13(16)2/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-methyl-4-octan-2-yloxybenzaldehyde?
3-methyl-4-octan-2-yloxybenzaldehyde has a molecular weight of 248.37 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-octan-2-yloxybenzaldehyde is sourced from PubChem (CID 79117369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).