octoxycyclopentane

C13H26O — CID 14691467

IUPACoctoxycyclopentane
SMILESCCCCCCCCOC1CCCC1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-9-12-14-13-10-7-8-11-13/h13H,2-12H2,1H3
InChIKeyKEWYKMDDQKVVKV-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.31
Rot. Bonds8

About octoxycyclopentane

octoxycyclopentane (PubChem CID 14691467) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is octoxycyclopentane.

Molecular Properties

Compound Nameoctoxycyclopentane
PubChem CID14691467
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Nameoctoxycyclopentane
SMILESCCCCCCCCOC1CCCC1
InChIInChI=1S/C13H26O/c1-2-3-4-5-6-9-12-14-13-10-7-8-11-13/h13H,2-12H2,1H3
InChIKeyKEWYKMDDQKVVKV-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.31
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

pentadecoxycyclopentane
CID 155570194
heptoxycyclopropane
CID 54099544
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
butoxycyclobutane
CID 54057236
1-ethoxy-4-hexoxycyclohexane
CID 147022477
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
butoxycyclopentane;ethane-1,2-diol
CID 174670164
1-(cycloheptyloxymethyl)-4-dodecoxycycloheptane
CID 91616970
10-butoxycyclooctadecan-1-ol
CID 91298202
1-ethyl-4-hexoxycyclohexane
CID 142019346
4-pentoxypiperidine
CID 43167830
propoxycyclooctane
CID 54078990

Frequently Asked Questions

What is the IUPAC name of octoxycyclopentane?
The IUPAC name of octoxycyclopentane (CID 14691467) is octoxycyclopentane.
What is the SMILES notation for octoxycyclopentane?
The canonical SMILES for octoxycyclopentane is CCCCCCCCOC1CCCC1.
What is the InChIKey of octoxycyclopentane?
The InChIKey is KEWYKMDDQKVVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-2-3-4-5-6-9-12-14-13-10-7-8-11-13/h13H,2-12H2,1H3.
What are the key properties of octoxycyclopentane?
octoxycyclopentane has a molecular weight of 198.35 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octoxycyclopentane is sourced from PubChem (CID 14691467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).