1,1-bis(methoxymethyl)cyclohexane

C10H20O2 — CID 22020788

IUPAC1,1-bis(methoxymethyl)cyclohexane
SMILESCOCC1(COC)CCCCC1
InChIInChI=1S/C10H20O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-9H2,1-2H3
InChIKeyWJLFNLNAXRVNGL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds4

About 1,1-bis(methoxymethyl)cyclohexane

1,1-bis(methoxymethyl)cyclohexane (PubChem CID 22020788) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1-bis(methoxymethyl)cyclohexane.

Molecular Properties

Compound Name1,1-bis(methoxymethyl)cyclohexane
PubChem CID22020788
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1,1-bis(methoxymethyl)cyclohexane
SMILESCOCC1(COC)CCCCC1
InChIInChI=1S/C10H20O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-9H2,1-2H3
InChIKeyWJLFNLNAXRVNGL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(methoxymethyl)cyclohexane?
The IUPAC name of 1,1-bis(methoxymethyl)cyclohexane (CID 22020788) is 1,1-bis(methoxymethyl)cyclohexane.
What is the SMILES notation for 1,1-bis(methoxymethyl)cyclohexane?
The canonical SMILES for 1,1-bis(methoxymethyl)cyclohexane is COCC1(COC)CCCCC1.
What is the InChIKey of 1,1-bis(methoxymethyl)cyclohexane?
The InChIKey is WJLFNLNAXRVNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-11-8-10(9-12-2)6-4-3-5-7-10/h3-9H2,1-2H3.
What are the key properties of 1,1-bis(methoxymethyl)cyclohexane?
1,1-bis(methoxymethyl)cyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(methoxymethyl)cyclohexane is sourced from PubChem (CID 22020788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).