1,5-bis(2-methylprop-1-enoxy)pentane

C13H24O2 — CID 87660189

IUPAC1,5-bis(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCCCCOC=C(C)C
InChIInChI=1S/C13H24O2/c1-12(2)10-14-8-6-5-7-9-15-11-13(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNJNPSNIKUNKXJM-UHFFFAOYSA-N
MW212.33 g/mol
LogP4.04
Rot. Bonds8

About 1,5-bis(2-methylprop-1-enoxy)pentane

1,5-bis(2-methylprop-1-enoxy)pentane (PubChem CID 87660189) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1,5-bis(2-methylprop-1-enoxy)pentane.

Molecular Properties

Compound Name1,5-bis(2-methylprop-1-enoxy)pentane
PubChem CID87660189
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1,5-bis(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCCCCOC=C(C)C
InChIInChI=1S/C13H24O2/c1-12(2)10-14-8-6-5-7-9-15-11-13(3)4/h10-11H,5-9H2,1-4H3
InChIKeyNJNPSNIKUNKXJM-UHFFFAOYSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-methylprop-1-enoxy)pentane?
The IUPAC name of 1,5-bis(2-methylprop-1-enoxy)pentane (CID 87660189) is 1,5-bis(2-methylprop-1-enoxy)pentane.
What is the SMILES notation for 1,5-bis(2-methylprop-1-enoxy)pentane?
The canonical SMILES for 1,5-bis(2-methylprop-1-enoxy)pentane is CC(C)=COCCCCCOC=C(C)C.
What is the InChIKey of 1,5-bis(2-methylprop-1-enoxy)pentane?
The InChIKey is NJNPSNIKUNKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-12(2)10-14-8-6-5-7-9-15-11-13(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1,5-bis(2-methylprop-1-enoxy)pentane?
1,5-bis(2-methylprop-1-enoxy)pentane has a molecular weight of 212.33 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-methylprop-1-enoxy)pentane is sourced from PubChem (CID 87660189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).