4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane

C11H22O — CID 22234798

IUPAC4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane
SMILESCC/C(C)=C/OCCCC(C)C
InChIInChI=1S/C11H22O/c1-5-11(4)9-12-8-6-7-10(2)3/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyRGYMKBWUSIHMNP-PKNBQFBNSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds6

About 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane

4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane (PubChem CID 22234798) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane.

Molecular Properties

Compound Name4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane
PubChem CID22234798
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane
SMILESCC/C(C)=C/OCCCC(C)C
InChIInChI=1S/C11H22O/c1-5-11(4)9-12-8-6-7-10(2)3/h9-10H,5-8H2,1-4H3/b11-9+
InChIKeyRGYMKBWUSIHMNP-PKNBQFBNSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane?
The IUPAC name of 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane (CID 22234798) is 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane.
What is the SMILES notation for 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane?
The canonical SMILES for 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane is CC/C(C)=C/OCCCC(C)C.
What is the InChIKey of 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane?
The InChIKey is RGYMKBWUSIHMNP-PKNBQFBNSA-N. The full InChI is InChI=1S/C11H22O/c1-5-11(4)9-12-8-6-7-10(2)3/h9-10H,5-8H2,1-4H3/b11-9+.
What are the key properties of 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane?
4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane has a molecular weight of 170.30 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane is sourced from PubChem (CID 22234798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).