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

C11H22O — CID 91498842

IUPAC4-methyl-1-(2-methylbut-1-enoxy)pentane
SMILESCCC(C)=COCCCC(C)C
InChIInChI=1S/C11H22O/c1-5-11(4)9-12-8-6-7-10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRGYMKBWUSIHMNP-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.75
Rot. Bonds6

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

4-methyl-1-(2-methylbut-1-enoxy)pentane (PubChem CID 91498842) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-methyl-1-(2-methylbut-1-enoxy)pentane.

Molecular Properties

Compound Name4-methyl-1-(2-methylbut-1-enoxy)pentane
PubChem CID91498842
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name4-methyl-1-(2-methylbut-1-enoxy)pentane
SMILESCCC(C)=COCCCC(C)C
InChIInChI=1S/C11H22O/c1-5-11(4)9-12-8-6-7-10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyRGYMKBWUSIHMNP-UHFFFAOYSA-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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Related Compounds

2,3-Dihydro-4-(1-methylethyl)furan
CID 36745
Ethyl 1-isopentylvinyl ether
CID 89670721
3-(Butoxymethylidene)pentane
CID 22234811
(E)-2-methyl-1-(3-methylbutoxy)but-1-ene
CID 22234787
3-(4-Methylpentoxymethylidene)pentane
CID 22234790
1-(2-Ethylbut-1-enoxy)hexane
CID 22234792
4-methyl-1-[(E)-2-methylbut-1-enoxy]pentane
CID 22234798
3-(2-Methylpropoxymethylidene)pentane
CID 22234806
4-Methyl-1-(2-methylprop-1-enoxy)pentane
CID 22234807
3-(3-Methylbutoxymethylidene)pentane
CID 22234828
1-[(E)-2-methylbut-1-enoxy]hexane
CID 22234831
3-(Pentoxymethylidene)pentane
CID 22234838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylbut-1-enoxy)pentane?
The IUPAC name of 4-methyl-1-(2-methylbut-1-enoxy)pentane (CID 91498842) is 4-methyl-1-(2-methylbut-1-enoxy)pentane.
What is the SMILES notation for 4-methyl-1-(2-methylbut-1-enoxy)pentane?
The canonical SMILES for 4-methyl-1-(2-methylbut-1-enoxy)pentane is CCC(C)=COCCCC(C)C.
What is the InChIKey of 4-methyl-1-(2-methylbut-1-enoxy)pentane?
The InChIKey is RGYMKBWUSIHMNP-UHFFFAOYSA-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.
What are the key properties of 4-methyl-1-(2-methylbut-1-enoxy)pentane?
4-methyl-1-(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-(2-methylbut-1-enoxy)pentane is sourced from PubChem (CID 91498842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).