8-cycloheptyloxyoctoxycycloheptane

C22H42O2 — CID 173292672

IUPAC8-cycloheptyloxyoctoxycycloheptane
SMILESC(CCCCOC1CCCCCC1)CCCOC1CCCCCC1
InChIInChI=1S/C22H42O2/c1(7-13-19-23-21-15-9-3-4-10-16-21)2-8-14-20-24-22-17-11-5-6-12-18-22/h21-22H,1-20H2
InChIKeyUZLXASDGIBBCLR-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.81
Rot. Bonds11

About 8-cycloheptyloxyoctoxycycloheptane

8-cycloheptyloxyoctoxycycloheptane (PubChem CID 173292672) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 8-cycloheptyloxyoctoxycycloheptane.

Molecular Properties

Compound Name8-cycloheptyloxyoctoxycycloheptane
PubChem CID173292672
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name8-cycloheptyloxyoctoxycycloheptane
SMILESC(CCCCOC1CCCCCC1)CCCOC1CCCCCC1
InChIInChI=1S/C22H42O2/c1(7-13-19-23-21-15-9-3-4-10-16-21)2-8-14-20-24-22-17-11-5-6-12-18-22/h21-22H,1-20H2
InChIKeyUZLXASDGIBBCLR-UHFFFAOYSA-N
XLogP6.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.81
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

pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
6-methylheptoxycyclohexane
CID 66984925
3-methoxypropoxycyclooctane
CID 68608033
[7-cyclooctyloxy-2-(4-cyclooctyloxybutyl)heptoxy]cyclooctane
CID 173259998
4-cyclohexyloxy-N-ethylbutan-1-amine
CID 62445750
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
6-cycloheptyloxyhexan-2-one
CID 61069930
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
6-cyclopentyloxyhexanal
CID 129416066
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
propoxycyclooctane
CID 54078990

Frequently Asked Questions

What is the IUPAC name of 8-cycloheptyloxyoctoxycycloheptane?
The IUPAC name of 8-cycloheptyloxyoctoxycycloheptane (CID 173292672) is 8-cycloheptyloxyoctoxycycloheptane.
What is the SMILES notation for 8-cycloheptyloxyoctoxycycloheptane?
The canonical SMILES for 8-cycloheptyloxyoctoxycycloheptane is C(CCCCOC1CCCCCC1)CCCOC1CCCCCC1.
What is the InChIKey of 8-cycloheptyloxyoctoxycycloheptane?
The InChIKey is UZLXASDGIBBCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1(7-13-19-23-21-15-9-3-4-10-16-21)2-8-14-20-24-22-17-11-5-6-12-18-22/h21-22H,1-20H2.
What are the key properties of 8-cycloheptyloxyoctoxycycloheptane?
8-cycloheptyloxyoctoxycycloheptane has a molecular weight of 338.58 g/mol, XLogP of 6.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloheptyloxyoctoxycycloheptane is sourced from PubChem (CID 173292672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).