2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane

C10H18O2 — CID 176603384

IUPAC2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1(C)CCCO1
InChIInChI=1S/C10H18O2/c1-3-7-11-9-6-10(2)5-4-8-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyHUFFOILVZCODFR-XVNBXDOJSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane

2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane (PubChem CID 176603384) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
PubChem CID176603384
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
SMILESC/C=C/OCCC1(C)CCCO1
InChIInChI=1S/C10H18O2/c1-3-7-11-9-6-10(2)5-4-8-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+
InChIKeyHUFFOILVZCODFR-XVNBXDOJSA-N
XLogP2.50
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 ≤ 52.50
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

(2S,3S,4R)-5-ethyl-3-fluoro-2,3-dimethyl-4-[(E)-prop-1-enoxy]oxolane
CID 145071287
2-(2-Prop-1-enoxyethyl)-2-propyloxirane
CID 54292674
3-Methyl-3-pentoxy-1-prop-1-enoxybutane
CID 123808475
1-Ethoxy-1-(2-prop-1-enoxyethyl)cyclobutane
CID 150218499
2-[2-[(E)-prop-1-enoxy]ethyl]oxolane
CID 176603322
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxolane
CID 176603514
2-(2-Ethenoxyethyl)-2-methyloxolane
CID 176603747
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]oxolane
CID 176604411
3-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605243
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]oxolane
CID 176605332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The IUPAC name of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane (CID 176603384) is 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane.
What is the SMILES notation for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The canonical SMILES for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane is C/C=C/OCCC1(C)CCCO1.
What is the InChIKey of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
The InChIKey is HUFFOILVZCODFR-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-7-11-9-6-10(2)5-4-8-12-10/h3,7H,4-6,8-9H2,1-2H3/b7-3+.
What are the key properties of 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane?
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxolane is sourced from PubChem (CID 176603384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).