1-(7-cyclopentylheptoxy)-2-octylbenzene

C26H44O — CID 173313687

IUPAC1-(7-cyclopentylheptoxy)-2-octylbenzene
SMILESCCCCCCCCc1ccccc1OCCCCCCCC1CCCC1
InChIInChI=1S/C26H44O/c1-2-3-4-5-8-11-20-25-21-14-15-22-26(25)27-23-16-9-6-7-10-17-24-18-12-13-19-24/h14-15,21-22,24H,2-13,16-20,23H2,1H3
InChIKeyKSQFGKMEWPMTQU-UHFFFAOYSA-N
MW372.64 g/mol
LogP8.50
Rot. Bonds16

About 1-(7-cyclopentylheptoxy)-2-octylbenzene

1-(7-cyclopentylheptoxy)-2-octylbenzene (PubChem CID 173313687) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-(7-cyclopentylheptoxy)-2-octylbenzene.

Molecular Properties

Compound Name1-(7-cyclopentylheptoxy)-2-octylbenzene
PubChem CID173313687
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name1-(7-cyclopentylheptoxy)-2-octylbenzene
SMILESCCCCCCCCc1ccccc1OCCCCCCCC1CCCC1
InChIInChI=1S/C26H44O/c1-2-3-4-5-8-11-20-25-21-14-15-22-26(25)27-23-16-9-6-7-10-17-24-18-12-13-19-24/h14-15,21-22,24H,2-13,16-20,23H2,1H3
InChIKeyKSQFGKMEWPMTQU-UHFFFAOYSA-N
XLogP8.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 58.50
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-(8-cyclopentyloctoxy)-2-nonoxybenzene
CID 173313671
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
2-(2-dodecylphenoxy)ethanol
CID 14475097
1-cyclopropyl-N-[(2-hexoxyphenyl)methyl]methanamine
CID 54805002
2-(2-hexylphenoxy)oxane
CID 70186744
1-decyl-2-ethoxybenzene
CID 175243335
1-(7-cyclopentylheptoxy)-3-nonylbenzene
CID 173313656
3-(2-pentoxyphenyl)propan-1-ol
CID 82161171
1-ethyl-2-heptoxybenzene
CID 22723794
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798

Frequently Asked Questions

What is the IUPAC name of 1-(7-cyclopentylheptoxy)-2-octylbenzene?
The IUPAC name of 1-(7-cyclopentylheptoxy)-2-octylbenzene (CID 173313687) is 1-(7-cyclopentylheptoxy)-2-octylbenzene.
What is the SMILES notation for 1-(7-cyclopentylheptoxy)-2-octylbenzene?
The canonical SMILES for 1-(7-cyclopentylheptoxy)-2-octylbenzene is CCCCCCCCc1ccccc1OCCCCCCCC1CCCC1.
What is the InChIKey of 1-(7-cyclopentylheptoxy)-2-octylbenzene?
The InChIKey is KSQFGKMEWPMTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-2-3-4-5-8-11-20-25-21-14-15-22-26(25)27-23-16-9-6-7-10-17-24-18-12-13-19-24/h14-15,21-22,24H,2-13,16-20,23H2,1H3.
What are the key properties of 1-(7-cyclopentylheptoxy)-2-octylbenzene?
1-(7-cyclopentylheptoxy)-2-octylbenzene has a molecular weight of 372.64 g/mol, XLogP of 8.50, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-cyclopentylheptoxy)-2-octylbenzene is sourced from PubChem (CID 173313687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).