tetracosan-8-yloxybenzene

C30H54O — CID 154135377

IUPACtetracosan-8-yloxybenzene
SMILESCCCCCCCCCCCCCCCCC(CCCCCCC)Oc1ccccc1
InChIInChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-26-29(25-21-18-8-6-4-2)31-30-27-23-20-24-28-30/h20,23-24,27-29H,3-19,21-22,25-26H2,1-2H3
InChIKeyQYNAIIBQNXVXCP-UHFFFAOYSA-N
MW430.76 g/mol
LogP10.67
Rot. Bonds23

About tetracosan-8-yloxybenzene

tetracosan-8-yloxybenzene (PubChem CID 154135377) has the molecular formula C30H54O and a molecular weight of 430.76 g/mol. Its IUPAC name is tetracosan-8-yloxybenzene.

Molecular Properties

Compound Nametetracosan-8-yloxybenzene
PubChem CID154135377
Molecular FormulaC30H54O
Molecular Weight430.76 g/mol
Exact Mass430.42
IUPAC Nametetracosan-8-yloxybenzene
SMILESCCCCCCCCCCCCCCCCC(CCCCCCC)Oc1ccccc1
InChIInChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-26-29(25-21-18-8-6-4-2)31-30-27-23-20-24-28-30/h20,23-24,27-29H,3-19,21-22,25-26H2,1-2H3
InChIKeyQYNAIIBQNXVXCP-UHFFFAOYSA-N
XLogP10.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.76
LogP ≤ 510.67
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

undecan-6-yloxybenzene
CID 130316504
[(2R,3S)-2-deuteriooctan-3-yl]oxybenzene
CID 25240766
CID 172702107
CID 172702107
decan-2-yloxybenzene
CID 12838331
1-(2-phenoxydecoxy)ethanol
CID 69066857
1-prop-2-enylperoxydodecan-3-yloxybenzene
CID 175703122
1-phenoxyhexadecan-1-ol
CID 140512988
1-methoxydecoxybenzene
CID 24977925
2-phenoxynonanenitrile
CID 68573362
4-[(5S)-dodecan-5-yl]oxybenzoic acid
CID 129396336
2-phenoxyundecanal
CID 57130450
1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706

Frequently Asked Questions

What is the IUPAC name of tetracosan-8-yloxybenzene?
The IUPAC name of tetracosan-8-yloxybenzene (CID 154135377) is tetracosan-8-yloxybenzene.
What is the SMILES notation for tetracosan-8-yloxybenzene?
The canonical SMILES for tetracosan-8-yloxybenzene is CCCCCCCCCCCCCCCCC(CCCCCCC)Oc1ccccc1.
What is the InChIKey of tetracosan-8-yloxybenzene?
The InChIKey is QYNAIIBQNXVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54O/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-22-26-29(25-21-18-8-6-4-2)31-30-27-23-20-24-28-30/h20,23-24,27-29H,3-19,21-22,25-26H2,1-2H3.
What are the key properties of tetracosan-8-yloxybenzene?
tetracosan-8-yloxybenzene has a molecular weight of 430.76 g/mol, XLogP of 10.67, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracosan-8-yloxybenzene is sourced from PubChem (CID 154135377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).