2-(4-dodecylphenyl)acetaldehyde

C20H32O — CID 175020639

IUPAC2-(4-dodecylphenyl)acetaldehyde
SMILESCCCCCCCCCCCCc1ccc(CC=O)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)17-18-21/h13-16,18H,2-12,17H2,1H3
InChIKeyATYAXIPTLLFBME-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.89
Rot. Bonds13

About 2-(4-dodecylphenyl)acetaldehyde

2-(4-dodecylphenyl)acetaldehyde (PubChem CID 175020639) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-(4-dodecylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-dodecylphenyl)acetaldehyde
PubChem CID175020639
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name2-(4-dodecylphenyl)acetaldehyde
SMILESCCCCCCCCCCCCc1ccc(CC=O)cc1
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)17-18-21/h13-16,18H,2-12,17H2,1H3
InChIKeyATYAXIPTLLFBME-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-butyl-4-nonylbenzene
CID 59545302
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
ethane;4-pentylbenzaldehyde
CID 143882863
N,N-bis(4-hexylphenyl)formamide
CID 88551243
formamide;hexadecylbenzene;propane
CID 162756092
2-[2,6-difluoro-4-(4-pentylphenyl)phenyl]acetaldehyde
CID 18552270
1-methyl-4-octylbenzene
CID 11052746
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
1-bromo-4-dodecylbenzene
CID 15120506

Frequently Asked Questions

What is the IUPAC name of 2-(4-dodecylphenyl)acetaldehyde?
The IUPAC name of 2-(4-dodecylphenyl)acetaldehyde (CID 175020639) is 2-(4-dodecylphenyl)acetaldehyde.
What is the SMILES notation for 2-(4-dodecylphenyl)acetaldehyde?
The canonical SMILES for 2-(4-dodecylphenyl)acetaldehyde is CCCCCCCCCCCCc1ccc(CC=O)cc1.
What is the InChIKey of 2-(4-dodecylphenyl)acetaldehyde?
The InChIKey is ATYAXIPTLLFBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-15-20(16-14-19)17-18-21/h13-16,18H,2-12,17H2,1H3.
What are the key properties of 2-(4-dodecylphenyl)acetaldehyde?
2-(4-dodecylphenyl)acetaldehyde has a molecular weight of 288.48 g/mol, XLogP of 5.89, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dodecylphenyl)acetaldehyde is sourced from PubChem (CID 175020639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).