methoxycyclooctane

C9H18O — CID 551195

IUPACmethoxycyclooctane
SMILESCOC1CCCCCCC1
InChIInChI=1S/C9H18O/c1-10-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3
InChIKeyFEBQZXLIAIUGGQ-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.75
Rot. Bonds1

About methoxycyclooctane

methoxycyclooctane (PubChem CID 551195) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is methoxycyclooctane.

Molecular Properties

Compound Namemethoxycyclooctane
PubChem CID551195
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Namemethoxycyclooctane
SMILESCOC1CCCCCCC1
InChIInChI=1S/C9H18O/c1-10-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3
InChIKeyFEBQZXLIAIUGGQ-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methoxycyclopentane;dihydrate
CID 159895201
azane;methoxycyclopentane
CID 70270429
formaldehyde;methoxycyclohexane
CID 142252216
1,2-dimethoxycyclohexane;methoxycyclohexane
CID 174549782
carbonyl difluoride;methoxycyclohexane
CID 158973981
5-methoxycyclopentadecane-1-carbaldehyde
CID 130421288
heptane;methoxycyclopentane
CID 131735357
4-methoxycyclooctan-1-ol
CID 12651700
ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
CID 67782468
1-(cyclohexylmethyl)-4-methoxycyclohexane
CID 139535555
methoxycyclohexane;methoxycyclopentane;2-methoxyoxane;2-methoxyoxolane
CID 157095286
1,1-difluoro-4-methoxycyclooctane
CID 129088845

Frequently Asked Questions

What is the IUPAC name of methoxycyclooctane?
The IUPAC name of methoxycyclooctane (CID 551195) is methoxycyclooctane.
What is the SMILES notation for methoxycyclooctane?
The canonical SMILES for methoxycyclooctane is COC1CCCCCCC1.
What is the InChIKey of methoxycyclooctane?
The InChIKey is FEBQZXLIAIUGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-10-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3.
What are the key properties of methoxycyclooctane?
methoxycyclooctane has a molecular weight of 142.24 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycyclooctane is sourced from PubChem (CID 551195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).