3-methoxypropoxycyclooctane

C12H24O2 — CID 68608033

IUPAC3-methoxypropoxycyclooctane
SMILESCOCCCOC1CCCCCCC1
InChIInChI=1S/C12H24O2/c1-13-10-7-11-14-12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyOTPHBTYADOGHQV-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.15
Rot. Bonds5

About 3-methoxypropoxycyclooctane

3-methoxypropoxycyclooctane (PubChem CID 68608033) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methoxypropoxycyclooctane.

Molecular Properties

Compound Name3-methoxypropoxycyclooctane
PubChem CID68608033
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methoxypropoxycyclooctane
SMILESCOCCCOC1CCCCCCC1
InChIInChI=1S/C12H24O2/c1-13-10-7-11-14-12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3
InChIKeyOTPHBTYADOGHQV-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.15
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

2-methoxyethoxycyclohexane
CID 20550469
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
N-(2-cyclohexyloxyethyl)-3-methoxypropan-1-amine
CID 62567637
3-(3-methoxypropoxy)cyclohexan-1-ol
CID 79619447
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778
6-methylheptoxycyclohexane
CID 66984925
2-(3-methoxypropoxy)cyclododecan-1-amine
CID 54936156
propoxycyclooctane
CID 54078990
4-[2-(3-methoxypropoxy)ethoxy]azepane
CID 103175847
N-ethyl-4-(4-methoxybutoxy)cyclohexan-1-amine
CID 104647209

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropoxycyclooctane?
The IUPAC name of 3-methoxypropoxycyclooctane (CID 68608033) is 3-methoxypropoxycyclooctane.
What is the SMILES notation for 3-methoxypropoxycyclooctane?
The canonical SMILES for 3-methoxypropoxycyclooctane is COCCCOC1CCCCCCC1.
What is the InChIKey of 3-methoxypropoxycyclooctane?
The InChIKey is OTPHBTYADOGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-13-10-7-11-14-12-8-5-3-2-4-6-9-12/h12H,2-11H2,1H3.
What are the key properties of 3-methoxypropoxycyclooctane?
3-methoxypropoxycyclooctane has a molecular weight of 200.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropoxycyclooctane is sourced from PubChem (CID 68608033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).