2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane

C17H24O3 — CID 123915019

IUPAC2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCOCC1OC2(CCCCC2)OC1c1ccccc1C
InChIInChI=1S/C17H24O3/c1-13-8-4-5-9-14(13)16-15(12-18-2)19-17(20-16)10-6-3-7-11-17/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3
InChIKeyJYMJLXANPIUXKA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.76
Rot. Bonds3

About 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane

2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 123915019) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID123915019
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
SMILESCOCC1OC2(CCCCC2)OC1c1ccccc1C
InChIInChI=1S/C17H24O3/c1-13-8-4-5-9-14(13)16-15(12-18-2)19-17(20-16)10-6-3-7-11-17/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3
InChIKeyJYMJLXANPIUXKA-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane (CID 123915019) is 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane is COCC1OC2(CCCCC2)OC1c1ccccc1C.
What is the InChIKey of 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is JYMJLXANPIUXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-13-8-4-5-9-14(13)16-15(12-18-2)19-17(20-16)10-6-3-7-11-17/h4-5,8-9,15-16H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane?
2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 276.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 123915019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).