3-[2-(2-methylprop-1-enoxy)ethyl]oxolane

C10H18O2 — CID 176603768

IUPAC3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1CCOC1
InChIInChI=1S/C10H18O2/c1-9(2)7-11-5-3-10-4-6-12-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVZLDPNCEGPTVRJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds4

About 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane

3-[2-(2-methylprop-1-enoxy)ethyl]oxolane (PubChem CID 176603768) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane.

Molecular Properties

Compound Name3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
PubChem CID176603768
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
SMILESCC(C)=COCCC1CCOC1
InChIInChI=1S/C10H18O2/c1-9(2)7-11-5-3-10-4-6-12-8-10/h7,10H,3-6,8H2,1-2H3
InChIKeyVZLDPNCEGPTVRJ-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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Related Compounds

3-Methyl-1,5-bis(2-methylprop-1-enoxy)pentane
CID 87658121
3-[2-(Cyclopentylidenemethoxy)ethyl]oxolane
CID 176603117
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603150
3-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176603506
3-Ethyl-3-(2-methylprop-1-enoxymethyl)oxolane
CID 176603588
4-(2-Methylprop-1-enoxymethyl)oxane
CID 176603828
4-[2-(2-Methylprop-1-enoxy)ethyl]oxane
CID 176604140
3-[3-(2-Methylprop-1-enoxy)propyl]oxolane
CID 176604361
3-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176604648
3-[1-(2-Methylprop-1-enoxy)ethyl]oxolane
CID 176604867

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The IUPAC name of 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane (CID 176603768) is 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane.
What is the SMILES notation for 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The canonical SMILES for 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane is CC(C)=COCCC1CCOC1.
What is the InChIKey of 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
The InChIKey is VZLDPNCEGPTVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)7-11-5-3-10-4-6-12-8-10/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane?
3-[2-(2-methylprop-1-enoxy)ethyl]oxolane 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 3-[2-(2-methylprop-1-enoxy)ethyl]oxolane is sourced from PubChem (CID 176603768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).