propoxycyclooctane

C11H22O — CID 54078990

IUPACpropoxycyclooctane
SMILESCCCOC1CCCCCCC1
InChIInChI=1S/C11H22O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3
InChIKeyUXHCIBFWGYSVMD-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.53
Rot. Bonds3

About propoxycyclooctane

propoxycyclooctane (PubChem CID 54078990) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is propoxycyclooctane.

Molecular Properties

Compound Namepropoxycyclooctane
PubChem CID54078990
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Namepropoxycyclooctane
SMILESCCCOC1CCCCCCC1
InChIInChI=1S/C11H22O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3
InChIKeyUXHCIBFWGYSVMD-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propoxycyclohexane
CID 118647955
1-methyl-4-propoxyazonane
CID 134172223
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
5-propoxycyclooctene
CID 77387390
N-cyclohexyl-4-propoxycyclohexan-1-amine;hydrochloride
CID 165430954
ethoxycyclooctane
CID 13427982
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
2-methoxyethoxycyclohexane
CID 20550469
butoxycyclobutane
CID 54057236
10-butoxycyclooctadecan-1-ol
CID 91298202
azane;ethoxycyclooctane
CID 70271275

Frequently Asked Questions

What is the IUPAC name of propoxycyclooctane?
The IUPAC name of propoxycyclooctane (CID 54078990) is propoxycyclooctane.
What is the SMILES notation for propoxycyclooctane?
The canonical SMILES for propoxycyclooctane is CCCOC1CCCCCCC1.
What is the InChIKey of propoxycyclooctane?
The InChIKey is UXHCIBFWGYSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-2-10-12-11-8-6-4-3-5-7-9-11/h11H,2-10H2,1H3.
What are the key properties of propoxycyclooctane?
propoxycyclooctane has a molecular weight of 170.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propoxycyclooctane is sourced from PubChem (CID 54078990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).