3-(3-methylbut-2-en-2-yloxy)pentane

C10H20O — CID 521765

IUPAC3-(3-methylbut-2-en-2-yloxy)pentane
SMILESCCC(CC)OC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-10(7-2)11-9(5)8(3)4/h10H,6-7H2,1-5H3
InChIKeyNUIRWAXGEMRSTC-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds4

About 3-(3-methylbut-2-en-2-yloxy)pentane

3-(3-methylbut-2-en-2-yloxy)pentane (PubChem CID 521765) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-(3-methylbut-2-en-2-yloxy)pentane.

Molecular Properties

Compound Name3-(3-methylbut-2-en-2-yloxy)pentane
PubChem CID521765
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-(3-methylbut-2-en-2-yloxy)pentane
SMILESCCC(CC)OC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-6-10(7-2)11-9(5)8(3)4/h10H,6-7H2,1-5H3
InChIKeyNUIRWAXGEMRSTC-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(3-methylbut-2-en-2-yloxy)pentane?
The IUPAC name of 3-(3-methylbut-2-en-2-yloxy)pentane (CID 521765) is 3-(3-methylbut-2-en-2-yloxy)pentane.
What is the SMILES notation for 3-(3-methylbut-2-en-2-yloxy)pentane?
The canonical SMILES for 3-(3-methylbut-2-en-2-yloxy)pentane is CCC(CC)OC(C)=C(C)C.
What is the InChIKey of 3-(3-methylbut-2-en-2-yloxy)pentane?
The InChIKey is NUIRWAXGEMRSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-6-10(7-2)11-9(5)8(3)4/h10H,6-7H2,1-5H3.
What are the key properties of 3-(3-methylbut-2-en-2-yloxy)pentane?
3-(3-methylbut-2-en-2-yloxy)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-en-2-yloxy)pentane is sourced from PubChem (CID 521765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).