1-(methoxymethoxy)decan-2-one

C12H24O3 — CID 135065656

IUPAC1-(methoxymethoxy)decan-2-one
SMILESCCCCCCCCC(=O)COCOC
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h3-11H2,1-2H3
InChIKeyKRDIMXLSEVQRDS-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.93
Rot. Bonds11

About 1-(methoxymethoxy)decan-2-one

1-(methoxymethoxy)decan-2-one (PubChem CID 135065656) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(methoxymethoxy)decan-2-one.

Molecular Properties

Compound Name1-(methoxymethoxy)decan-2-one
PubChem CID135065656
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name1-(methoxymethoxy)decan-2-one
SMILESCCCCCCCCC(=O)COCOC
InChIInChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h3-11H2,1-2H3
InChIKeyKRDIMXLSEVQRDS-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethoxy)decan-2-one?
The IUPAC name of 1-(methoxymethoxy)decan-2-one (CID 135065656) is 1-(methoxymethoxy)decan-2-one.
What is the SMILES notation for 1-(methoxymethoxy)decan-2-one?
The canonical SMILES for 1-(methoxymethoxy)decan-2-one is CCCCCCCCC(=O)COCOC.
What is the InChIKey of 1-(methoxymethoxy)decan-2-one?
The InChIKey is KRDIMXLSEVQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)10-15-11-14-2/h3-11H2,1-2H3.
What are the key properties of 1-(methoxymethoxy)decan-2-one?
1-(methoxymethoxy)decan-2-one has a molecular weight of 216.32 g/mol, XLogP of 2.93, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)decan-2-one is sourced from PubChem (CID 135065656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).