2-(5-methylhex-5-enoxy)oxane

C12H22O2 — CID 11074372

IUPAC2-(5-methylhex-5-enoxy)oxane
SMILESC=C(C)CCCCOC1CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)7-3-5-9-13-12-8-4-6-10-14-12/h12H,1,3-10H2,2H3
InChIKeyLKXSLHMGWGEHAT-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.28
Rot. Bonds6

About 2-(5-methylhex-5-enoxy)oxane

2-(5-methylhex-5-enoxy)oxane (PubChem CID 11074372) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(5-methylhex-5-enoxy)oxane.

Molecular Properties

Compound Name2-(5-methylhex-5-enoxy)oxane
PubChem CID11074372
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-(5-methylhex-5-enoxy)oxane
SMILESC=C(C)CCCCOC1CCCCO1
InChIInChI=1S/C12H22O2/c1-11(2)7-3-5-9-13-12-8-4-6-10-14-12/h12H,1,3-10H2,2H3
InChIKeyLKXSLHMGWGEHAT-UHFFFAOYSA-N
XLogP3.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhex-5-enoxy)oxane?
The IUPAC name of 2-(5-methylhex-5-enoxy)oxane (CID 11074372) is 2-(5-methylhex-5-enoxy)oxane.
What is the SMILES notation for 2-(5-methylhex-5-enoxy)oxane?
The canonical SMILES for 2-(5-methylhex-5-enoxy)oxane is C=C(C)CCCCOC1CCCCO1.
What is the InChIKey of 2-(5-methylhex-5-enoxy)oxane?
The InChIKey is LKXSLHMGWGEHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-11(2)7-3-5-9-13-12-8-4-6-10-14-12/h12H,1,3-10H2,2H3.
What are the key properties of 2-(5-methylhex-5-enoxy)oxane?
2-(5-methylhex-5-enoxy)oxane has a molecular weight of 198.31 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhex-5-enoxy)oxane is sourced from PubChem (CID 11074372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).