1-cyclohexyl-3,3-dimethoxypropan-1-one

C11H20O3 — CID 10330418

IUPAC1-cyclohexyl-3,3-dimethoxypropan-1-one
SMILESCOC(CC(=O)C1CCCCC1)OC
InChIInChI=1S/C11H20O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyHWOGUXUMRSKALG-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About 1-cyclohexyl-3,3-dimethoxypropan-1-one

1-cyclohexyl-3,3-dimethoxypropan-1-one (PubChem CID 10330418) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-dimethoxypropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3,3-dimethoxypropan-1-one
PubChem CID10330418
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name1-cyclohexyl-3,3-dimethoxypropan-1-one
SMILESCOC(CC(=O)C1CCCCC1)OC
InChIInChI=1S/C11H20O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKeyHWOGUXUMRSKALG-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3,3-dimethoxypropan-1-one?
The IUPAC name of 1-cyclohexyl-3,3-dimethoxypropan-1-one (CID 10330418) is 1-cyclohexyl-3,3-dimethoxypropan-1-one.
What is the SMILES notation for 1-cyclohexyl-3,3-dimethoxypropan-1-one?
The canonical SMILES for 1-cyclohexyl-3,3-dimethoxypropan-1-one is COC(CC(=O)C1CCCCC1)OC.
What is the InChIKey of 1-cyclohexyl-3,3-dimethoxypropan-1-one?
The InChIKey is HWOGUXUMRSKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-13-11(14-2)8-10(12)9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-cyclohexyl-3,3-dimethoxypropan-1-one?
1-cyclohexyl-3,3-dimethoxypropan-1-one has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-dimethoxypropan-1-one is sourced from PubChem (CID 10330418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).