4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane

C14H24O2 — CID 176604630

IUPAC4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane
SMILESCC1(CCOC=C2CCCC2)CCOCC1
InChIInChI=1S/C14H24O2/c1-14(6-9-15-10-7-14)8-11-16-12-13-4-2-3-5-13/h12H,2-11H2,1H3
InChIKeyWSJTUSHBUAKEKA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.67
Rot. Bonds4

About 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane

4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane (PubChem CID 176604630) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane.

Molecular Properties

Compound Name4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane
PubChem CID176604630
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane
SMILESCC1(CCOC=C2CCCC2)CCOCC1
InChIInChI=1S/C14H24O2/c1-14(6-9-15-10-7-14)8-11-16-12-13-4-2-3-5-13/h12H,2-11H2,1H3
InChIKeyWSJTUSHBUAKEKA-UHFFFAOYSA-N
XLogP3.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane?
The IUPAC name of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane (CID 176604630) is 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane.
What is the SMILES notation for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane?
The canonical SMILES for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane is CC1(CCOC=C2CCCC2)CCOCC1.
What is the InChIKey of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane?
The InChIKey is WSJTUSHBUAKEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(6-9-15-10-7-14)8-11-16-12-13-4-2-3-5-13/h12H,2-11H2,1H3.
What are the key properties of 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane?
4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane has a molecular weight of 224.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylidenemethoxy)ethyl]-4-methyloxane is sourced from PubChem (CID 176604630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).