1,3-bis(methoxymethyl)cyclohexane

C10H20O2 — CID 19906662

IUPAC1,3-bis(methoxymethyl)cyclohexane
SMILESCOCC1CCCC(COC)C1
InChIInChI=1S/C10H20O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h9-10H,3-8H2,1-2H3
InChIKeyRJFMJMQFOYWACE-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.09
Rot. Bonds4

About 1,3-bis(methoxymethyl)cyclohexane

1,3-bis(methoxymethyl)cyclohexane (PubChem CID 19906662) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,3-bis(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,3-bis(methoxymethyl)cyclohexane
PubChem CID19906662
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,3-bis(methoxymethyl)cyclohexane
SMILESCOCC1CCCC(COC)C1
InChIInChI=1S/C10H20O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h9-10H,3-8H2,1-2H3
InChIKeyRJFMJMQFOYWACE-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(methoxymethyl)cyclohexane?
The IUPAC name of 1,3-bis(methoxymethyl)cyclohexane (CID 19906662) is 1,3-bis(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,3-bis(methoxymethyl)cyclohexane?
The canonical SMILES for 1,3-bis(methoxymethyl)cyclohexane is COCC1CCCC(COC)C1.
What is the InChIKey of 1,3-bis(methoxymethyl)cyclohexane?
The InChIKey is RJFMJMQFOYWACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-11-7-9-4-3-5-10(6-9)8-12-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,3-bis(methoxymethyl)cyclohexane?
1,3-bis(methoxymethyl)cyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(methoxymethyl)cyclohexane is sourced from PubChem (CID 19906662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).