undecan-6-yloxybenzene

C17H28O — CID 130316504

IUPACundecan-6-yloxybenzene
SMILESCCCCCC(CCCCC)Oc1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
InChIKeyQSUMCYVUAZDLCM-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.59
Rot. Bonds10

About undecan-6-yloxybenzene

undecan-6-yloxybenzene (PubChem CID 130316504) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is undecan-6-yloxybenzene.

Molecular Properties

Compound Nameundecan-6-yloxybenzene
PubChem CID130316504
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Nameundecan-6-yloxybenzene
SMILESCCCCCC(CCCCC)Oc1ccccc1
InChIInChI=1S/C17H28O/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
InChIKeyQSUMCYVUAZDLCM-UHFFFAOYSA-N
XLogP5.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.59
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

tetracosan-8-yloxybenzene
CID 154135377
[(2R,3S)-2-deuteriooctan-3-yl]oxybenzene
CID 25240766
CID 172702107
CID 172702107
1-(2-phenoxydecoxy)ethanol
CID 69066857
1-prop-2-enylperoxydodecan-3-yloxybenzene
CID 175703122
decan-2-yloxybenzene
CID 12838331
1-phenoxyhexadecan-1-ol
CID 140512988
[(3S,4S)-4-deuteriooctan-3-yl]oxybenzene
CID 10655951
1-methoxydecoxybenzene
CID 24977925
2-phenoxynonanenitrile
CID 68573362
4-[(5S)-dodecan-5-yl]oxybenzoic acid
CID 129396336
3-decan-4-yloxyphenol
CID 57284040

Frequently Asked Questions

What is the IUPAC name of undecan-6-yloxybenzene?
The IUPAC name of undecan-6-yloxybenzene (CID 130316504) is undecan-6-yloxybenzene.
What is the SMILES notation for undecan-6-yloxybenzene?
The canonical SMILES for undecan-6-yloxybenzene is CCCCCC(CCCCC)Oc1ccccc1.
What is the InChIKey of undecan-6-yloxybenzene?
The InChIKey is QSUMCYVUAZDLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of undecan-6-yloxybenzene?
undecan-6-yloxybenzene has a molecular weight of 248.41 g/mol, XLogP of 5.59, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-6-yloxybenzene is sourced from PubChem (CID 130316504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).