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

C10H18O2 — CID 176605179

IUPAC2-[[(E)-prop-1-enoxy]methyl]oxepane
SMILESC/C=C/OCC1CCCCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-9-10-6-4-3-5-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyWNJWXBSYWRWWGM-FARCUNLSSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

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

2-[[(E)-prop-1-enoxy]methyl]oxepane (PubChem CID 176605179) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[[(E)-prop-1-enoxy]methyl]oxepane.

Molecular Properties

Compound Name2-[[(E)-prop-1-enoxy]methyl]oxepane
PubChem CID176605179
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[[(E)-prop-1-enoxy]methyl]oxepane
SMILESC/C=C/OCC1CCCCCO1
InChIInChI=1S/C10H18O2/c1-2-7-11-9-10-6-4-3-5-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyWNJWXBSYWRWWGM-FARCUNLSSA-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

1,6-Bis(prop-1-enoxy)octane
CID 53934114
[(E)-prop-1-enoxy]cycloheptane
CID 68848418
Prop-1-enoxycycloheptane
CID 68848421
[(Z)-prop-1-enoxy]cycloheptane
CID 89781249
2-[[(E)-prop-1-enoxy]methyl]oxane
CID 129154762
3-[(E)-prop-1-enoxy]oxocane
CID 176603148
2-[1-[(E)-prop-1-enoxy]ethyl]oxane
CID 176603241
2-[1-[(E)-prop-1-enoxy]ethyl]oxocane
CID 176603978
2-[[(E)-prop-1-enoxy]methyl]oxocane
CID 176604541
2-(2-Methylprop-1-enoxymethyl)oxepane
CID 176604560
3-[(E)-prop-1-enoxy]oxepane
CID 176605000
2-(Ethenoxymethyl)oxepane
CID 176605046

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]oxepane?
The IUPAC name of 2-[[(E)-prop-1-enoxy]methyl]oxepane (CID 176605179) is 2-[[(E)-prop-1-enoxy]methyl]oxepane.
What is the SMILES notation for 2-[[(E)-prop-1-enoxy]methyl]oxepane?
The canonical SMILES for 2-[[(E)-prop-1-enoxy]methyl]oxepane is C/C=C/OCC1CCCCCO1.
What is the InChIKey of 2-[[(E)-prop-1-enoxy]methyl]oxepane?
The InChIKey is WNJWXBSYWRWWGM-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-7-11-9-10-6-4-3-5-8-12-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 2-[[(E)-prop-1-enoxy]methyl]oxepane?
2-[[(E)-prop-1-enoxy]methyl]oxepane 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)-prop-1-enoxy]methyl]oxepane is sourced from PubChem (CID 176605179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).