1-(2-methylbut-3-enoxy)pentane

C10H20O — CID 88898422

IUPAC1-(2-methylbut-3-enoxy)pentane
SMILESC=CC(C)COCCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-11-9-10(3)5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyJPQFTRSNFQWPIA-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.02
Rot. Bonds7

About 1-(2-methylbut-3-enoxy)pentane

1-(2-methylbut-3-enoxy)pentane (PubChem CID 88898422) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(2-methylbut-3-enoxy)pentane.

Molecular Properties

Compound Name1-(2-methylbut-3-enoxy)pentane
PubChem CID88898422
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-(2-methylbut-3-enoxy)pentane
SMILESC=CC(C)COCCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-11-9-10(3)5-2/h5,10H,2,4,6-9H2,1,3H3
InChIKeyJPQFTRSNFQWPIA-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2-methylbut-3-enoxy)pentane?
The IUPAC name of 1-(2-methylbut-3-enoxy)pentane (CID 88898422) is 1-(2-methylbut-3-enoxy)pentane.
What is the SMILES notation for 1-(2-methylbut-3-enoxy)pentane?
The canonical SMILES for 1-(2-methylbut-3-enoxy)pentane is C=CC(C)COCCCCC.
What is the InChIKey of 1-(2-methylbut-3-enoxy)pentane?
The InChIKey is JPQFTRSNFQWPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-11-9-10(3)5-2/h5,10H,2,4,6-9H2,1,3H3.
What are the key properties of 1-(2-methylbut-3-enoxy)pentane?
1-(2-methylbut-3-enoxy)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-enoxy)pentane is sourced from PubChem (CID 88898422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).