3-[(E)-prop-1-enoxy]oxocane

C10H18O2 — CID 176603148

IUPAC3-[(E)-prop-1-enoxy]oxocane
SMILESC/C=C/OC1CCCCCOC1
InChIInChI=1S/C10H18O2/c1-2-7-12-10-6-4-3-5-8-11-9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyRZYHUJNTULBXOP-FARCUNLSSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds2

About 3-[(E)-prop-1-enoxy]oxocane

3-[(E)-prop-1-enoxy]oxocane (PubChem CID 176603148) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-[(E)-prop-1-enoxy]oxocane.

Molecular Properties

Compound Name3-[(E)-prop-1-enoxy]oxocane
PubChem CID176603148
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-[(E)-prop-1-enoxy]oxocane
SMILESC/C=C/OC1CCCCCOC1
InChIInChI=1S/C10H18O2/c1-2-7-12-10-6-4-3-5-8-11-9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+
InChIKeyRZYHUJNTULBXOP-FARCUNLSSA-N
XLogP2.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enoxy]oxocane?
The IUPAC name of 3-[(E)-prop-1-enoxy]oxocane (CID 176603148) is 3-[(E)-prop-1-enoxy]oxocane.
What is the SMILES notation for 3-[(E)-prop-1-enoxy]oxocane?
The canonical SMILES for 3-[(E)-prop-1-enoxy]oxocane is C/C=C/OC1CCCCCOC1.
What is the InChIKey of 3-[(E)-prop-1-enoxy]oxocane?
The InChIKey is RZYHUJNTULBXOP-FARCUNLSSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-7-12-10-6-4-3-5-8-11-9-10/h2,7,10H,3-6,8-9H2,1H3/b7-2+.
What are the key properties of 3-[(E)-prop-1-enoxy]oxocane?
3-[(E)-prop-1-enoxy]oxocane has a molecular weight of 170.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enoxy]oxocane is sourced from PubChem (CID 176603148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).