1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane

C15H28O2 — CID 174907691

IUPAC1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane
SMILESCOC1CCCC(CC2CCCCC2OC)C1
InChIInChI=1S/C15H28O2/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyADLBDVUROYZRKA-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.79
Rot. Bonds4

About 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane

1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane (PubChem CID 174907691) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane.

Molecular Properties

Compound Name1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane
PubChem CID174907691
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane
SMILESCOC1CCCC(CC2CCCCC2OC)C1
InChIInChI=1S/C15H28O2/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h12-15H,3-11H2,1-2H3
InChIKeyADLBDVUROYZRKA-UHFFFAOYSA-N
XLogP3.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane?
The IUPAC name of 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane (CID 174907691) is 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane.
What is the SMILES notation for 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane?
The canonical SMILES for 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane is COC1CCCC(CC2CCCCC2OC)C1.
What is the InChIKey of 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane?
The InChIKey is ADLBDVUROYZRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-16-14-8-5-6-12(11-14)10-13-7-3-4-9-15(13)17-2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane?
1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane has a molecular weight of 240.39 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(3-methoxycyclohexyl)methyl]cyclohexane is sourced from PubChem (CID 174907691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).