2-[(Z)-2-methylbut-2-enoxy]oxane

C10H18O2 — CID 12623535

IUPAC2-[(Z)-2-methylbut-2-enoxy]oxane
SMILESC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,10H,4-8H2,1-2H3/b9-3-
InChIKeySQXJNFBMTBDVLW-OQFOIZHKSA-N
MW170.25 g/mol
LogP2.50
Rot. Bonds3

About 2-[(Z)-2-methylbut-2-enoxy]oxane

2-[(Z)-2-methylbut-2-enoxy]oxane (PubChem CID 12623535) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(Z)-2-methylbut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-2-methylbut-2-enoxy]oxane
PubChem CID12623535
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(Z)-2-methylbut-2-enoxy]oxane
SMILESC/C=C(/C)COC1CCCCO1
InChIInChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,10H,4-8H2,1-2H3/b9-3-
InChIKeySQXJNFBMTBDVLW-OQFOIZHKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-methylbut-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-2-methylbut-2-enoxy]oxane (CID 12623535) is 2-[(Z)-2-methylbut-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-2-methylbut-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-2-methylbut-2-enoxy]oxane is C/C=C(/C)COC1CCCCO1.
What is the InChIKey of 2-[(Z)-2-methylbut-2-enoxy]oxane?
The InChIKey is SQXJNFBMTBDVLW-OQFOIZHKSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9(2)8-12-10-6-4-5-7-11-10/h3,10H,4-8H2,1-2H3/b9-3-.
What are the key properties of 2-[(Z)-2-methylbut-2-enoxy]oxane?
2-[(Z)-2-methylbut-2-enoxy]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-[(Z)-2-methylbut-2-enoxy]oxane is sourced from PubChem (CID 12623535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).