1-(2-hexyldecoxy)-2-propylbenzene

C25H44O — CID 70821516

IUPAC1-(2-hexyldecoxy)-2-propylbenzene
SMILESCCCCCCCCC(CCCCCC)COc1ccccc1CCC
InChIInChI=1S/C25H44O/c1-4-7-9-11-12-14-19-23(18-13-10-8-5-2)22-26-25-21-16-15-20-24(25)17-6-3/h15-16,20-21,23H,4-14,17-19,22H2,1-3H3
InChIKeyFWLFQRZFSFZMDB-UHFFFAOYSA-N
MW360.63 g/mol
LogP8.36
Rot. Bonds17

About 1-(2-hexyldecoxy)-2-propylbenzene

1-(2-hexyldecoxy)-2-propylbenzene (PubChem CID 70821516) has the molecular formula C25H44O and a molecular weight of 360.63 g/mol. Its IUPAC name is 1-(2-hexyldecoxy)-2-propylbenzene.

Molecular Properties

Compound Name1-(2-hexyldecoxy)-2-propylbenzene
PubChem CID70821516
Molecular FormulaC25H44O
Molecular Weight360.63 g/mol
Exact Mass360.34
IUPAC Name1-(2-hexyldecoxy)-2-propylbenzene
SMILESCCCCCCCCC(CCCCCC)COc1ccccc1CCC
InChIInChI=1S/C25H44O/c1-4-7-9-11-12-14-19-23(18-13-10-8-5-2)22-26-25-21-16-15-20-24(25)17-6-3/h15-16,20-21,23H,4-14,17-19,22H2,1-3H3
InChIKeyFWLFQRZFSFZMDB-UHFFFAOYSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.63
LogP ≤ 58.36
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-(2-octylphenoxy)propan-2-ol
CID 142740915
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-decyl-2-ethoxybenzene
CID 175243335
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
2-[2-(3-oxopropyl)octoxy]benzaldehyde
CID 57292995
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
1-decyl-2-(6-octoxyheptoxy)benzene
CID 57153605
1-decyl-2-(5-methoxyhexoxy)benzene
CID 57268252
CID 151703747
CID 151703747
(2-octoxyphenyl)methanol
CID 43128604
2-(2-dodecylphenoxy)ethanol
CID 14475097

Frequently Asked Questions

What is the IUPAC name of 1-(2-hexyldecoxy)-2-propylbenzene?
The IUPAC name of 1-(2-hexyldecoxy)-2-propylbenzene (CID 70821516) is 1-(2-hexyldecoxy)-2-propylbenzene.
What is the SMILES notation for 1-(2-hexyldecoxy)-2-propylbenzene?
The canonical SMILES for 1-(2-hexyldecoxy)-2-propylbenzene is CCCCCCCCC(CCCCCC)COc1ccccc1CCC.
What is the InChIKey of 1-(2-hexyldecoxy)-2-propylbenzene?
The InChIKey is FWLFQRZFSFZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O/c1-4-7-9-11-12-14-19-23(18-13-10-8-5-2)22-26-25-21-16-15-20-24(25)17-6-3/h15-16,20-21,23H,4-14,17-19,22H2,1-3H3.
What are the key properties of 1-(2-hexyldecoxy)-2-propylbenzene?
1-(2-hexyldecoxy)-2-propylbenzene has a molecular weight of 360.63 g/mol, XLogP of 8.36, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexyldecoxy)-2-propylbenzene is sourced from PubChem (CID 70821516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).