4-methyl-1-(2-methylprop-1-enoxy)pentane

C10H20O — CID 22234807

IUPAC4-methyl-1-(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCCC(C)C
InChIInChI=1S/C10H20O/c1-9(2)6-5-7-11-8-10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVHCIINZQVMHULD-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.36
Rot. Bonds5

About 4-methyl-1-(2-methylprop-1-enoxy)pentane

4-methyl-1-(2-methylprop-1-enoxy)pentane (PubChem CID 22234807) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methyl-1-(2-methylprop-1-enoxy)pentane.

Molecular Properties

Compound Name4-methyl-1-(2-methylprop-1-enoxy)pentane
PubChem CID22234807
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name4-methyl-1-(2-methylprop-1-enoxy)pentane
SMILESCC(C)=COCCCC(C)C
InChIInChI=1S/C10H20O/c1-9(2)6-5-7-11-8-10(3)4/h8-9H,5-7H2,1-4H3
InChIKeyVHCIINZQVMHULD-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.36
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-(2-methylprop-1-enoxy)pentane?
The IUPAC name of 4-methyl-1-(2-methylprop-1-enoxy)pentane (CID 22234807) is 4-methyl-1-(2-methylprop-1-enoxy)pentane.
What is the SMILES notation for 4-methyl-1-(2-methylprop-1-enoxy)pentane?
The canonical SMILES for 4-methyl-1-(2-methylprop-1-enoxy)pentane is CC(C)=COCCCC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylprop-1-enoxy)pentane?
The InChIKey is VHCIINZQVMHULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-9(2)6-5-7-11-8-10(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 4-methyl-1-(2-methylprop-1-enoxy)pentane?
4-methyl-1-(2-methylprop-1-enoxy)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylprop-1-enoxy)pentane is sourced from PubChem (CID 22234807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).