2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one

C16H26O5 — CID 10968537

IUPAC2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one
SMILESCOCOCC1(C2(C)CCC2=O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O5/c1-14(4-3-13(14)17)15(11-19-12-18-2)5-7-16(8-6-15)20-9-10-21-16/h3-12H2,1-2H3
InChIKeyQDJSRVNZSCMWKL-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.28
Rot. Bonds5

About 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one

2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one (PubChem CID 10968537) has the molecular formula C16H26O5 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one
PubChem CID10968537
Molecular FormulaC16H26O5
Molecular Weight298.38 g/mol
Exact Mass298.18
IUPAC Name2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one
SMILESCOCOCC1(C2(C)CCC2=O)CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O5/c1-14(4-3-13(14)17)15(11-19-12-18-2)5-7-16(8-6-15)20-9-10-21-16/h3-12H2,1-2H3
InChIKeyQDJSRVNZSCMWKL-UHFFFAOYSA-N
XLogP2.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one?
The IUPAC name of 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one (CID 10968537) is 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one?
The canonical SMILES for 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one is COCOCC1(C2(C)CCC2=O)CCC2(CC1)OCCO2.
What is the InChIKey of 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one?
The InChIKey is QDJSRVNZSCMWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O5/c1-14(4-3-13(14)17)15(11-19-12-18-2)5-7-16(8-6-15)20-9-10-21-16/h3-12H2,1-2H3.
What are the key properties of 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one?
2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one has a molecular weight of 298.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one is sourced from PubChem (CID 10968537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).