2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane

C15H26O3 — CID 176603886

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
SMILESCCC1(CCCOC=C2CCCC2)COCCO1
InChIInChI=1S/C15H26O3/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyHVVFWSPCCBPKOX-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.44
Rot. Bonds6

About 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane (PubChem CID 176603886) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
PubChem CID176603886
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
SMILESCCC1(CCCOC=C2CCCC2)COCCO1
InChIInChI=1S/C15H26O3/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyHVVFWSPCCBPKOX-UHFFFAOYSA-N
XLogP3.44
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethyloxirane
CID 176603351
2-(Cyclopentylidenemethoxymethyl)-2-methyloxane
CID 176603452
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxolane
CID 176603992
2-(Cyclohexylidenemethoxymethyl)-2-methyloxolane
CID 176604176
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethyl-1,4-dioxane
CID 176604590
2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]-1,4-dioxane
CID 176605128
2-(Cyclopentylidenemethoxymethyl)-2-ethyloxane
CID 176605188
2-(Cyclohexylidenemethoxymethyl)-2-ethyloxolane
CID 176605337

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane (CID 176603886) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane is CCC1(CCCOC=C2CCCC2)COCCO1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
The InChIKey is HVVFWSPCCBPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane has a molecular weight of 254.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dioxane is sourced from PubChem (CID 176603886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).