1-cyclohexyl-1-(methoxymethoxy)butan-2-one

C12H22O3 — CID 11053024

IUPAC1-cyclohexyl-1-(methoxymethoxy)butan-2-one
SMILESCCC(=O)C(OCOC)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-11(13)12(15-9-14-2)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyBTCODGIFLAOZJY-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds6

About 1-cyclohexyl-1-(methoxymethoxy)butan-2-one

1-cyclohexyl-1-(methoxymethoxy)butan-2-one (PubChem CID 11053024) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 1-cyclohexyl-1-(methoxymethoxy)butan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-(methoxymethoxy)butan-2-one
PubChem CID11053024
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name1-cyclohexyl-1-(methoxymethoxy)butan-2-one
SMILESCCC(=O)C(OCOC)C1CCCCC1
InChIInChI=1S/C12H22O3/c1-3-11(13)12(15-9-14-2)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3
InChIKeyBTCODGIFLAOZJY-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
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-1-(methoxymethoxy)butan-2-one?
The IUPAC name of 1-cyclohexyl-1-(methoxymethoxy)butan-2-one (CID 11053024) is 1-cyclohexyl-1-(methoxymethoxy)butan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-(methoxymethoxy)butan-2-one?
The canonical SMILES for 1-cyclohexyl-1-(methoxymethoxy)butan-2-one is CCC(=O)C(OCOC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-(methoxymethoxy)butan-2-one?
The InChIKey is BTCODGIFLAOZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-11(13)12(15-9-14-2)10-7-5-4-6-8-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-(methoxymethoxy)butan-2-one?
1-cyclohexyl-1-(methoxymethoxy)butan-2-one has a molecular weight of 214.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-(methoxymethoxy)butan-2-one is sourced from PubChem (CID 11053024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).