2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane

C11H20O2 — CID 176605405

IUPAC2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
SMILESC/C=C/OCC1(C)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-11(2)7-5-4-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyRGEFUOZVYCTCQW-FPYGCLRLSA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds3

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

2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane (PubChem CID 176605405) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane.

Molecular Properties

Compound Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
PubChem CID176605405
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
SMILESC/C=C/OCC1(C)CCCCCO1
InChIInChI=1S/C11H20O2/c1-3-8-12-10-11(2)7-5-4-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+
InChIKeyRGEFUOZVYCTCQW-FPYGCLRLSA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
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

2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176602975
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176603088
2-Ethyl-2-(2-methylprop-1-enoxymethyl)oxepane
CID 176603539
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176603609
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]oxane
CID 176603915
2-methyl-2-[2-[(E)-prop-1-enoxy]ethyl]oxepane
CID 176604031
2-(Ethenoxymethyl)-2-ethyloxepane
CID 176604401
2-[[(E)-prop-1-enoxy]methyl]oxepane
CID 176605179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane?
The IUPAC name of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane (CID 176605405) is 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane.
What is the SMILES notation for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane?
The canonical SMILES for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane is C/C=C/OCC1(C)CCCCCO1.
What is the InChIKey of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane?
The InChIKey is RGEFUOZVYCTCQW-FPYGCLRLSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-8-12-10-11(2)7-5-4-6-9-13-11/h3,8H,4-7,9-10H2,1-2H3/b8-3+.
What are the key properties of 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane?
2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[(E)-prop-1-enoxy]methyl]oxepane is sourced from PubChem (CID 176605405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).