1-(cyclohexylmethoxymethyl)-1-methylcyclohexane

C15H28O — CID 135133605

IUPAC1-(cyclohexylmethoxymethyl)-1-methylcyclohexane
SMILESCC1(COCC2CCCCC2)CCCCC1
InChIInChI=1S/C15H28O/c1-15(10-6-3-7-11-15)13-16-12-14-8-4-2-5-9-14/h14H,2-13H2,1H3
InChIKeyZPYUJEQLAKHXKM-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.55
Rot. Bonds4

About 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane

1-(cyclohexylmethoxymethyl)-1-methylcyclohexane (PubChem CID 135133605) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(cyclohexylmethoxymethyl)-1-methylcyclohexane
PubChem CID135133605
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name1-(cyclohexylmethoxymethyl)-1-methylcyclohexane
SMILESCC1(COCC2CCCCC2)CCCCC1
InChIInChI=1S/C15H28O/c1-15(10-6-3-7-11-15)13-16-12-14-8-4-2-5-9-14/h14H,2-13H2,1H3
InChIKeyZPYUJEQLAKHXKM-UHFFFAOYSA-N
XLogP4.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane?
The IUPAC name of 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane (CID 135133605) is 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane.
What is the SMILES notation for 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane?
The canonical SMILES for 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane is CC1(COCC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane?
The InChIKey is ZPYUJEQLAKHXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-15(10-6-3-7-11-15)13-16-12-14-8-4-2-5-9-14/h14H,2-13H2,1H3.
What are the key properties of 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane?
1-(cyclohexylmethoxymethyl)-1-methylcyclohexane has a molecular weight of 224.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxymethyl)-1-methylcyclohexane is sourced from PubChem (CID 135133605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).