4-(2-ethenoxyethyl)-4-methyloxane

C10H18O2 — CID 176603712

IUPAC4-(2-ethenoxyethyl)-4-methyloxane
SMILESC=COCCC1(C)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-11-7-4-10(2)5-8-12-9-6-10/h3H,1,4-9H2,2H3
InChIKeySTNAZKTWKGOJNZ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 4-(2-ethenoxyethyl)-4-methyloxane

4-(2-ethenoxyethyl)-4-methyloxane (PubChem CID 176603712) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(2-ethenoxyethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(2-ethenoxyethyl)-4-methyloxane
PubChem CID176603712
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(2-ethenoxyethyl)-4-methyloxane
SMILESC=COCCC1(C)CCOCC1
InChIInChI=1S/C10H18O2/c1-3-11-7-4-10(2)5-8-12-9-6-10/h3H,1,4-9H2,2H3
InChIKeySTNAZKTWKGOJNZ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
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-ethenoxyethyl)-4-methyloxane?
The IUPAC name of 4-(2-ethenoxyethyl)-4-methyloxane (CID 176603712) is 4-(2-ethenoxyethyl)-4-methyloxane.
What is the SMILES notation for 4-(2-ethenoxyethyl)-4-methyloxane?
The canonical SMILES for 4-(2-ethenoxyethyl)-4-methyloxane is C=COCCC1(C)CCOCC1.
What is the InChIKey of 4-(2-ethenoxyethyl)-4-methyloxane?
The InChIKey is STNAZKTWKGOJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-11-7-4-10(2)5-8-12-9-6-10/h3H,1,4-9H2,2H3.
What are the key properties of 4-(2-ethenoxyethyl)-4-methyloxane?
4-(2-ethenoxyethyl)-4-methyloxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethyl)-4-methyloxane is sourced from PubChem (CID 176603712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).