2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane

C10H18O2 — CID 10654734

IUPAC2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane
SMILESCO/C=C(\C)CC1CCCCO1
InChIInChI=1S/C10H18O2/c1-9(8-11-2)7-10-5-3-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyAWYCMUXSWUXXTH-CMDGGOBGSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane

2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane (PubChem CID 10654734) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane.

Molecular Properties

Compound Name2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane
PubChem CID10654734
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane
SMILESCO/C=C(\C)CC1CCCCO1
InChIInChI=1S/C10H18O2/c1-9(8-11-2)7-10-5-3-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+
InChIKeyAWYCMUXSWUXXTH-CMDGGOBGSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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'}

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Related Compounds

2H-Pyran, 2-butyltetrahydro-6-methyl-4-methylene-
CID 91149
tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
2-Propyl-4-methylenetetrahydropyran
CID 12283592
2-Butyl-4-methylenetetrahydropyran
CID 13516143
(4E)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118366658
(4Z)-4-(methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 118373698
4-(Methoxymethylidene)-2-(2,2,2-trifluoroethyl)oxane
CID 123552892
2-Ethyl-4-methylideneoxane
CID 12347115
2-Hexyl-4-methylideneoxane
CID 12338277
W66K9Csq4Z
CID 92278448
(2S,6R)-2-methyl-4-methylidene-6-(2-methylprop-2-enyl)oxane
CID 102186275
2-Methyl-5-pentyl-3,4-dihydro-2h-pyran
CID 129776342

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane?
The IUPAC name of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane (CID 10654734) is 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane.
What is the SMILES notation for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane?
The canonical SMILES for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane is CO/C=C(\C)CC1CCCCO1.
What is the InChIKey of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane?
The InChIKey is AWYCMUXSWUXXTH-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(8-11-2)7-10-5-3-4-6-12-10/h8,10H,3-7H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane?
2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methoxy-2-methylprop-2-enyl]oxane is sourced from PubChem (CID 10654734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).