1-cyclohexyl-1-methoxy-2-methylpropan-1-ol

C11H22O2 — CID 67351854

IUPAC1-cyclohexyl-1-methoxy-2-methylpropan-1-ol
SMILESCOC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-9(2)11(12,13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyQLMPSQGREBLLQB-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.56
Rot. Bonds3

About 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol

1-cyclohexyl-1-methoxy-2-methylpropan-1-ol (PubChem CID 67351854) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-2-methylpropan-1-ol
PubChem CID67351854
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name1-cyclohexyl-1-methoxy-2-methylpropan-1-ol
SMILESCOC(O)(C(C)C)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-9(2)11(12,13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3
InChIKeyQLMPSQGREBLLQB-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol?
The IUPAC name of 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol (CID 67351854) is 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol?
The canonical SMILES for 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol is COC(O)(C(C)C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol?
The InChIKey is QLMPSQGREBLLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)11(12,13-3)10-7-5-4-6-8-10/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol?
1-cyclohexyl-1-methoxy-2-methylpropan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-2-methylpropan-1-ol is sourced from PubChem (CID 67351854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).