2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane

C12H20O3 — CID 176604724

IUPAC2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
SMILESCC1(COC=C2CCCC2)COCCO1
InChIInChI=1S/C12H20O3/c1-12(9-13-6-7-15-12)10-14-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyNFHGXUGMBMFULQ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.27
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane

2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane (PubChem CID 176604724) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
PubChem CID176604724
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
SMILESCC1(COC=C2CCCC2)COCCO1
InChIInChI=1S/C12H20O3/c1-12(9-13-6-7-15-12)10-14-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3
InChIKeyNFHGXUGMBMFULQ-UHFFFAOYSA-N
XLogP2.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176603690
2-(Cyclopentylidenemethoxymethyl)-2-methyloxirane
CID 176603955
2-(Cyclopentylidenemethoxymethyl)-1,4-dioxane
CID 176603998
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176604070
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
2-Methyl-2-(2-methylprop-1-enoxymethyl)-1,4-dioxane
CID 176604278
2-(Cyclohexylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176605260
2-[1-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176605283

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane (CID 176604724) is 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane is CC1(COC=C2CCCC2)COCCO1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane?
The InChIKey is NFHGXUGMBMFULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-12(9-13-6-7-15-12)10-14-8-11-4-2-3-5-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane?
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane has a molecular weight of 212.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane is sourced from PubChem (CID 176604724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).