3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane

C11H20O2 — CID 176604456

IUPAC3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-7-12-9-6-11(2)5-4-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyQOHQFZKIUUKFLT-XVNBXDOJSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds4

About 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane

3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane (PubChem CID 176604456) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane.

Molecular Properties

Compound Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
PubChem CID176604456
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane
SMILESC/C=C/OCCC1(C)CCCOC1
InChIInChI=1S/C11H20O2/c1-3-7-12-9-6-11(2)5-4-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+
InChIKeyQOHQFZKIUUKFLT-XVNBXDOJSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
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-Ethyl-3-(prop-1-enoxymethyl)oxane
CID 152623649
5-Oxaspiro[2.5]octane;prop-1-ene
CID 153539547
4-Ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
4-methyl-4-[2-[(E)-prop-1-enoxy]ethyl]oxane
CID 176602993
4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603165
4-ethyl-4-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603191
4-ethyl-4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603194
4-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603447
3-ethyl-3-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603461
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]oxane
CID 176603637
3-(2-Ethenoxyethyl)-3-methyloxane
CID 176603778
4-(3-Ethenoxypropyl)-4-ethyloxane
CID 176604267

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The IUPAC name of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane (CID 176604456) is 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane.
What is the SMILES notation for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The canonical SMILES for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane is C/C=C/OCCC1(C)CCCOC1.
What is the InChIKey of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
The InChIKey is QOHQFZKIUUKFLT-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-12-9-6-11(2)5-4-8-13-10-11/h3,7H,4-6,8-10H2,1-2H3/b7-3+.
What are the key properties of 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane?
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]oxane is sourced from PubChem (CID 176604456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).