2,3-bis(methoxymethoxy)cyclodecan-1-one

C14H26O5 — CID 22319877

IUPAC2,3-bis(methoxymethoxy)cyclodecan-1-one
SMILESCOCOC1CCCCCCCC(=O)C1OCOC
InChIInChI=1S/C14H26O5/c1-16-10-18-13-9-7-5-3-4-6-8-12(15)14(13)19-11-17-2/h13-14H,3-11H2,1-2H3
InChIKeyYMYPFZFDHQTDKU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.28
Rot. Bonds6

About 2,3-bis(methoxymethoxy)cyclodecan-1-one

2,3-bis(methoxymethoxy)cyclodecan-1-one (PubChem CID 22319877) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-bis(methoxymethoxy)cyclodecan-1-one.

Molecular Properties

Compound Name2,3-bis(methoxymethoxy)cyclodecan-1-one
PubChem CID22319877
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name2,3-bis(methoxymethoxy)cyclodecan-1-one
SMILESCOCOC1CCCCCCCC(=O)C1OCOC
InChIInChI=1S/C14H26O5/c1-16-10-18-13-9-7-5-3-4-6-8-12(15)14(13)19-11-17-2/h13-14H,3-11H2,1-2H3
InChIKeyYMYPFZFDHQTDKU-UHFFFAOYSA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2,3-bis(methoxymethoxy)cyclodecan-1-one?
The IUPAC name of 2,3-bis(methoxymethoxy)cyclodecan-1-one (CID 22319877) is 2,3-bis(methoxymethoxy)cyclodecan-1-one.
What is the SMILES notation for 2,3-bis(methoxymethoxy)cyclodecan-1-one?
The canonical SMILES for 2,3-bis(methoxymethoxy)cyclodecan-1-one is COCOC1CCCCCCCC(=O)C1OCOC.
What is the InChIKey of 2,3-bis(methoxymethoxy)cyclodecan-1-one?
The InChIKey is YMYPFZFDHQTDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5/c1-16-10-18-13-9-7-5-3-4-6-8-12(15)14(13)19-11-17-2/h13-14H,3-11H2,1-2H3.
What are the key properties of 2,3-bis(methoxymethoxy)cyclodecan-1-one?
2,3-bis(methoxymethoxy)cyclodecan-1-one has a molecular weight of 274.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(methoxymethoxy)cyclodecan-1-one is sourced from PubChem (CID 22319877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).