1-(8-cyclopentyloctoxy)-2-nonoxybenzene

C28H48O2 — CID 173313671

IUPAC1-(8-cyclopentyloctoxy)-2-nonoxybenzene
SMILESCCCCCCCCCOc1ccccc1OCCCCCCCCC1CCCC1
InChIInChI=1S/C28H48O2/c1-2-3-4-5-7-10-17-24-29-27-22-15-16-23-28(27)30-25-18-11-8-6-9-12-19-26-20-13-14-21-26/h15-16,22-23,26H,2-14,17-21,24-25H2,1H3
InChIKeyAHIAHORIJVHZSK-UHFFFAOYSA-N
MW416.69 g/mol
LogP9.12
Rot. Bonds19

About 1-(8-cyclopentyloctoxy)-2-nonoxybenzene

1-(8-cyclopentyloctoxy)-2-nonoxybenzene (PubChem CID 173313671) has the molecular formula C28H48O2 and a molecular weight of 416.69 g/mol. Its IUPAC name is 1-(8-cyclopentyloctoxy)-2-nonoxybenzene.

Molecular Properties

Compound Name1-(8-cyclopentyloctoxy)-2-nonoxybenzene
PubChem CID173313671
Molecular FormulaC28H48O2
Molecular Weight416.69 g/mol
Exact Mass416.37
IUPAC Name1-(8-cyclopentyloctoxy)-2-nonoxybenzene
SMILESCCCCCCCCCOc1ccccc1OCCCCCCCCC1CCCC1
InChIInChI=1S/C28H48O2/c1-2-3-4-5-7-10-17-24-29-27-22-15-16-23-28(27)30-25-18-11-8-6-9-12-19-26-20-13-14-21-26/h15-16,22-23,26H,2-14,17-21,24-25H2,1H3
InChIKeyAHIAHORIJVHZSK-UHFFFAOYSA-N
XLogP9.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.69
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(7-cyclopentylheptoxy)-2-octylbenzene
CID 173313687
5-(5-cyclopentylpentoxy)-2-[2-[(4-hexylcyclohexyl)methoxy]phenyl]pyrimidine
CID 18660341
1-octoxy-4-[3-(4-pentylcyclohexyl)propoxy]benzene
CID 54461890
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
tetradecylcyclododecane
CID 169026037
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-butoxy-4-[3-(4-heptylcyclohexyl)propoxy]benzene
CID 19738947

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyclopentyloctoxy)-2-nonoxybenzene?
The IUPAC name of 1-(8-cyclopentyloctoxy)-2-nonoxybenzene (CID 173313671) is 1-(8-cyclopentyloctoxy)-2-nonoxybenzene.
What is the SMILES notation for 1-(8-cyclopentyloctoxy)-2-nonoxybenzene?
The canonical SMILES for 1-(8-cyclopentyloctoxy)-2-nonoxybenzene is CCCCCCCCCOc1ccccc1OCCCCCCCCC1CCCC1.
What is the InChIKey of 1-(8-cyclopentyloctoxy)-2-nonoxybenzene?
The InChIKey is AHIAHORIJVHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48O2/c1-2-3-4-5-7-10-17-24-29-27-22-15-16-23-28(27)30-25-18-11-8-6-9-12-19-26-20-13-14-21-26/h15-16,22-23,26H,2-14,17-21,24-25H2,1H3.
What are the key properties of 1-(8-cyclopentyloctoxy)-2-nonoxybenzene?
1-(8-cyclopentyloctoxy)-2-nonoxybenzene has a molecular weight of 416.69 g/mol, XLogP of 9.12, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyclopentyloctoxy)-2-nonoxybenzene is sourced from PubChem (CID 173313671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).