2-cyclodecylbenzaldehyde

C17H24O — CID 142358507

IUPAC2-cyclodecylbenzaldehyde
SMILESO=Cc1ccccc1C1CCCCCCCCC1
InChIInChI=1S/C17H24O/c18-14-16-12-8-9-13-17(16)15-10-6-4-2-1-3-5-7-11-15/h8-9,12-15H,1-7,10-11H2
InChIKeyOAOSKQNYDDTBDP-UHFFFAOYSA-N
MW244.38 g/mol
LogP5.11
Rot. Bonds2

About 2-cyclodecylbenzaldehyde

2-cyclodecylbenzaldehyde (PubChem CID 142358507) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-cyclodecylbenzaldehyde.

Molecular Properties

Compound Name2-cyclodecylbenzaldehyde
PubChem CID142358507
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name2-cyclodecylbenzaldehyde
SMILESO=Cc1ccccc1C1CCCCCCCCC1
InChIInChI=1S/C17H24O/c18-14-16-12-8-9-13-17(16)15-10-6-4-2-1-3-5-7-11-15/h8-9,12-15H,1-7,10-11H2
InChIKeyOAOSKQNYDDTBDP-UHFFFAOYSA-N
XLogP5.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.38
LogP ≤ 55.11
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

3-cyclohexyl-2-methylbenzaldehyde
CID 15107628
2-[2-(2-cyclohexylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 87274435
2-(3-oxocyclohexyl)benzaldehyde
CID 115022556
(2E)-2-[(2-cyclohexylphenyl)methylidene]cyclohexan-1-one
CID 68643049
3-cyclopentylpyridine-4-carbaldehyde
CID 82411124
(E)-3-(2-cyclohexylphenyl)-2-methylprop-2-enoic acid
CID 66903010
2-cyclohexylphenolate
CID 21162907
2,3,4-tricyclopentylbenzaldehyde
CID 87124420
2-cyclododecylphenol
CID 22381643
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
2-(4-cyclobutylphenyl)benzaldehyde
CID 116506540
(2R)-2-(2-cyclopentylphenyl)-2-hydroxyacetaldehyde
CID 173057877

Frequently Asked Questions

What is the IUPAC name of 2-cyclodecylbenzaldehyde?
The IUPAC name of 2-cyclodecylbenzaldehyde (CID 142358507) is 2-cyclodecylbenzaldehyde.
What is the SMILES notation for 2-cyclodecylbenzaldehyde?
The canonical SMILES for 2-cyclodecylbenzaldehyde is O=Cc1ccccc1C1CCCCCCCCC1.
What is the InChIKey of 2-cyclodecylbenzaldehyde?
The InChIKey is OAOSKQNYDDTBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c18-14-16-12-8-9-13-17(16)15-10-6-4-2-1-3-5-7-11-15/h8-9,12-15H,1-7,10-11H2.
What are the key properties of 2-cyclodecylbenzaldehyde?
2-cyclodecylbenzaldehyde has a molecular weight of 244.38 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclodecylbenzaldehyde is sourced from PubChem (CID 142358507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).