decan-2-yloxybenzene

C16H26O — CID 12838331

IUPACdecan-2-yloxybenzene
SMILESCCCCCCCCC(C)Oc1ccccc1
InChIInChI=1S/C16H26O/c1-3-4-5-6-7-9-12-15(2)17-16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKeyKXONIMNSDFBFLS-UHFFFAOYSA-N
MW234.38 g/mol
LogP5.20
Rot. Bonds9

About decan-2-yloxybenzene

decan-2-yloxybenzene (PubChem CID 12838331) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is decan-2-yloxybenzene.

Molecular Properties

Compound Namedecan-2-yloxybenzene
PubChem CID12838331
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Namedecan-2-yloxybenzene
SMILESCCCCCCCCC(C)Oc1ccccc1
InChIInChI=1S/C16H26O/c1-3-4-5-6-7-9-12-15(2)17-16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3
InChIKeyKXONIMNSDFBFLS-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.38
LogP ≤ 55.20
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-[(2R)-octan-2-yl]oxy-4-[4-[(2R)-octan-2-yl]oxyphenyl]benzene
CID 139721951
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
tetracosan-8-yloxybenzene
CID 154135377
6-bromohexan-2-yloxybenzene
CID 150425058
undecan-6-yloxybenzene
CID 130316504
1-nonoxypropan-2-yloxybenzene
CID 154296421
1-phenoxyhexadecan-1-ol
CID 140512988
4-heptan-2-yloxybenzenethiol
CID 19843806
1-methoxydecoxybenzene
CID 24977925
4-[(2S)-octan-2-yl]oxybenzaldehyde
CID 29003502
4-(4-octan-2-yloxyphenyl)phenol
CID 14419509
4-[4-[(2S)-octan-2-yl]oxyphenyl]phenol
CID 14419511

Frequently Asked Questions

What is the IUPAC name of decan-2-yloxybenzene?
The IUPAC name of decan-2-yloxybenzene (CID 12838331) is decan-2-yloxybenzene.
What is the SMILES notation for decan-2-yloxybenzene?
The canonical SMILES for decan-2-yloxybenzene is CCCCCCCCC(C)Oc1ccccc1.
What is the InChIKey of decan-2-yloxybenzene?
The InChIKey is KXONIMNSDFBFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-3-4-5-6-7-9-12-15(2)17-16-13-10-8-11-14-16/h8,10-11,13-15H,3-7,9,12H2,1-2H3.
What are the key properties of decan-2-yloxybenzene?
decan-2-yloxybenzene has a molecular weight of 234.38 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yloxybenzene is sourced from PubChem (CID 12838331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).