2-(cyclopentylidenemethoxymethyl)-1,4-dioxane

C11H18O3 — CID 176603998

IUPAC2-(cyclopentylidenemethoxymethyl)-1,4-dioxane
SMILESC(OCC1COCCO1)=C1CCCC1
InChIInChI=1S/C11H18O3/c1-2-4-10(3-1)7-13-9-11-8-12-5-6-14-11/h7,11H,1-6,8-9H2
InChIKeyKAJBDTKGAROCET-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.88
Rot. Bonds3

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

2-(cyclopentylidenemethoxymethyl)-1,4-dioxane (PubChem CID 176603998) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-1,4-dioxane
PubChem CID176603998
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2-(cyclopentylidenemethoxymethyl)-1,4-dioxane
SMILESC(OCC1COCCO1)=C1CCCC1
InChIInChI=1S/C11H18O3/c1-2-4-10(3-1)7-13-9-11-8-12-5-6-14-11/h7,11H,1-6,8-9H2
InChIKeyKAJBDTKGAROCET-UHFFFAOYSA-N
XLogP1.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.88
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-(Cyclohexylidenemethoxymethyl)-1,4-dioxane
CID 176602915
3-(Cyclohexylidenemethoxy)oxolane
CID 176603024
4-(Cyclopentylidenemethoxy)oxane
CID 176603057
2-(Cyclopentylidenemethoxymethyl)oxane
CID 176603363
2-(Cyclopentylidenemethoxymethyl)oxirane
CID 176603641
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dioxane
CID 176603690
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dioxane
CID 176604070
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dioxane
CID 176604242
3-(Cyclopentylidenemethoxy)oxane
CID 176604530
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dioxane
CID 176604724
2-[3-(Cyclopentylidenemethoxy)propyl]-1,4-dioxane
CID 176604757
3-(Cyclopentylidenemethoxy)oxolane
CID 176604937

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane (CID 176603998) is 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane is C(OCC1COCCO1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane?
The InChIKey is KAJBDTKGAROCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-2-4-10(3-1)7-13-9-11-8-12-5-6-14-11/h7,11H,1-6,8-9H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane?
2-(cyclopentylidenemethoxymethyl)-1,4-dioxane has a molecular weight of 198.26 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-1,4-dioxane is sourced from PubChem (CID 176603998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).