1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone

C10H18O3 — CID 103450640

IUPAC1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone
SMILESCOCC(=O)C1(O)CCC(C)CC1
InChIInChI=1S/C10H18O3/c1-8-3-5-10(12,6-4-8)9(11)7-13-2/h8,12H,3-7H2,1-2H3
InChIKeyWABOSGLKSOMUED-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.14
Rot. Bonds3

About 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone

1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone (PubChem CID 103450640) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone
PubChem CID103450640
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone
SMILESCOCC(=O)C1(O)CCC(C)CC1
InChIInChI=1S/C10H18O3/c1-8-3-5-10(12,6-4-8)9(11)7-13-2/h8,12H,3-7H2,1-2H3
InChIKeyWABOSGLKSOMUED-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone?
The IUPAC name of 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone (CID 103450640) is 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone.
What is the SMILES notation for 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone?
The canonical SMILES for 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone is COCC(=O)C1(O)CCC(C)CC1.
What is the InChIKey of 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone?
The InChIKey is WABOSGLKSOMUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8-3-5-10(12,6-4-8)9(11)7-13-2/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone?
1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone has a molecular weight of 186.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylcyclohexyl)-2-methoxyethanone is sourced from PubChem (CID 103450640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).