1-methoxy-1-methylcyclohexane

C8H15O+ — CID 90731653

IUPAC1-methoxy-1-methylcyclohexane
SMILES[CH2+]OC1(C)CCCCC1
InChIInChI=1S/C8H15O/c1-8(9-2)6-4-3-5-7-8/h2-7H2,1H3/q+1
InChIKeySIHRPXIPPXNJBB-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.52
Rot. Bonds1

About 1-methoxy-1-methylcyclohexane

1-methoxy-1-methylcyclohexane (PubChem CID 90731653) has the molecular formula C8H15O+ and a molecular weight of 127.21 g/mol. Its IUPAC name is 1-methoxy-1-methylcyclohexane.

Molecular Properties

Compound Name1-methoxy-1-methylcyclohexane
PubChem CID90731653
Molecular FormulaC8H15O+
Molecular Weight127.21 g/mol
Exact Mass127.11
IUPAC Name1-methoxy-1-methylcyclohexane
SMILES[CH2+]OC1(C)CCCCC1
InChIInChI=1S/C8H15O/c1-8(9-2)6-4-3-5-7-8/h2-7H2,1H3/q+1
InChIKeySIHRPXIPPXNJBB-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-methylcyclohexane?
The IUPAC name of 1-methoxy-1-methylcyclohexane (CID 90731653) is 1-methoxy-1-methylcyclohexane.
What is the SMILES notation for 1-methoxy-1-methylcyclohexane?
The canonical SMILES for 1-methoxy-1-methylcyclohexane is [CH2+]OC1(C)CCCCC1.
What is the InChIKey of 1-methoxy-1-methylcyclohexane?
The InChIKey is SIHRPXIPPXNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O/c1-8(9-2)6-4-3-5-7-8/h2-7H2,1H3/q+1.
What are the key properties of 1-methoxy-1-methylcyclohexane?
1-methoxy-1-methylcyclohexane has a molecular weight of 127.21 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-methylcyclohexane is sourced from PubChem (CID 90731653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).