methoxymethoxymethylcyclohexane

C9H18O2 — CID 13203846

IUPACmethoxymethoxymethylcyclohexane
SMILESCOCOCC1CCCCC1
InChIInChI=1S/C9H18O2/c1-10-8-11-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBTVLYOROIFZEBD-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.19
Rot. Bonds4

About methoxymethoxymethylcyclohexane

methoxymethoxymethylcyclohexane (PubChem CID 13203846) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is methoxymethoxymethylcyclohexane.

Molecular Properties

Compound Namemethoxymethoxymethylcyclohexane
PubChem CID13203846
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Namemethoxymethoxymethylcyclohexane
SMILESCOCOCC1CCCCC1
InChIInChI=1S/C9H18O2/c1-10-8-11-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyBTVLYOROIFZEBD-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethoxymethylcyclohexane?
The IUPAC name of methoxymethoxymethylcyclohexane (CID 13203846) is methoxymethoxymethylcyclohexane.
What is the SMILES notation for methoxymethoxymethylcyclohexane?
The canonical SMILES for methoxymethoxymethylcyclohexane is COCOCC1CCCCC1.
What is the InChIKey of methoxymethoxymethylcyclohexane?
The InChIKey is BTVLYOROIFZEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-10-8-11-7-9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of methoxymethoxymethylcyclohexane?
methoxymethoxymethylcyclohexane has a molecular weight of 158.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxymethylcyclohexane is sourced from PubChem (CID 13203846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).