1-dodecoxyhexylbenzene

C24H42O — CID 174774790

IUPAC1-dodecoxyhexylbenzene
SMILESCCCCCCCCCCCCOC(CCCCC)c1ccccc1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-18-22-25-24(21-15-6-4-2)23-19-16-14-17-20-23/h14,16-17,19-20,24H,3-13,15,18,21-22H2,1-2H3
InChIKeyGJXINMGJHORPAQ-UHFFFAOYSA-N
MW346.60 g/mol
LogP8.25
Rot. Bonds17

About 1-dodecoxyhexylbenzene

1-dodecoxyhexylbenzene (PubChem CID 174774790) has the molecular formula C24H42O and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-dodecoxyhexylbenzene.

Molecular Properties

Compound Name1-dodecoxyhexylbenzene
PubChem CID174774790
Molecular FormulaC24H42O
Molecular Weight346.60 g/mol
Exact Mass346.32
IUPAC Name1-dodecoxyhexylbenzene
SMILESCCCCCCCCCCCCOC(CCCCC)c1ccccc1
InChIInChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-18-22-25-24(21-15-6-4-2)23-19-16-14-17-20-23/h14,16-17,19-20,24H,3-13,15,18,21-22H2,1-2H3
InChIKeyGJXINMGJHORPAQ-UHFFFAOYSA-N
XLogP8.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentoxybutylbenzene
CID 173061669
1-ethoxydecylbenzene
CID 71423896
1-pentoxypropylbenzene
CID 57033372
1-(1-phenyloctadecoxy)octadecylbenzene
CID 175415236
(1,2-dihexoxy-2-phenylethyl)benzene
CID 14092843
didecoxymethylbenzene
CID 150039155
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
3-butoxy-3-phenylpropan-1-amine
CID 114998461
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
3-heptoxy-3-phenylpropanenitrile
CID 115002608
3-hexoxy-3-phenylpropanenitrile
CID 115002769
nonoxy(phenyl)methanol
CID 70405769

Frequently Asked Questions

What is the IUPAC name of 1-dodecoxyhexylbenzene?
The IUPAC name of 1-dodecoxyhexylbenzene (CID 174774790) is 1-dodecoxyhexylbenzene.
What is the SMILES notation for 1-dodecoxyhexylbenzene?
The canonical SMILES for 1-dodecoxyhexylbenzene is CCCCCCCCCCCCOC(CCCCC)c1ccccc1.
What is the InChIKey of 1-dodecoxyhexylbenzene?
The InChIKey is GJXINMGJHORPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O/c1-3-5-7-8-9-10-11-12-13-18-22-25-24(21-15-6-4-2)23-19-16-14-17-20-23/h14,16-17,19-20,24H,3-13,15,18,21-22H2,1-2H3.
What are the key properties of 1-dodecoxyhexylbenzene?
1-dodecoxyhexylbenzene has a molecular weight of 346.60 g/mol, XLogP of 8.25, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecoxyhexylbenzene is sourced from PubChem (CID 174774790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).