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

C10H20O — CID 21270356

IUPAC1-(3-methylbut-3-enoxy)pentane
SMILESC=C(C)CCOCCCCC
InChIInChI=1S/C10H20O/c1-4-5-6-8-11-9-7-10(2)3/h2,4-9H2,1,3H3
InChIKeyWLEGJFAEOUVGKH-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.16
Rot. Bonds7

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

1-(3-methylbut-3-enoxy)pentane (PubChem CID 21270356) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(3-methylbut-3-enoxy)pentane.

Molecular Properties

Compound Name1-(3-methylbut-3-enoxy)pentane
PubChem CID21270356
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-(3-methylbut-3-enoxy)pentane
SMILESC=C(C)CCOCCCCC
InChIInChI=1S/C10H20O/c1-4-5-6-8-11-9-7-10(2)3/h2,4-9H2,1,3H3
InChIKeyWLEGJFAEOUVGKH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
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-(3-methylbut-3-enoxy)pentane?
The IUPAC name of 1-(3-methylbut-3-enoxy)pentane (CID 21270356) is 1-(3-methylbut-3-enoxy)pentane.
What is the SMILES notation for 1-(3-methylbut-3-enoxy)pentane?
The canonical SMILES for 1-(3-methylbut-3-enoxy)pentane is C=C(C)CCOCCCCC.
What is the InChIKey of 1-(3-methylbut-3-enoxy)pentane?
The InChIKey is WLEGJFAEOUVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-4-5-6-8-11-9-7-10(2)3/h2,4-9H2,1,3H3.
What are the key properties of 1-(3-methylbut-3-enoxy)pentane?
1-(3-methylbut-3-enoxy)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-3-enoxy)pentane is sourced from PubChem (CID 21270356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).