1-(3-methylbut-2-en-2-yloxy)pentane

C10H20O — CID 58862763

IUPAC1-(3-methylbut-2-en-2-yloxy)pentane
SMILESCCCCCOC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-11-10(4)9(2)3/h5-8H2,1-4H3
InChIKeyVLVHAHXBBVBXEN-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.51
Rot. Bonds5

About 1-(3-methylbut-2-en-2-yloxy)pentane

1-(3-methylbut-2-en-2-yloxy)pentane (PubChem CID 58862763) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-(3-methylbut-2-en-2-yloxy)pentane.

Molecular Properties

Compound Name1-(3-methylbut-2-en-2-yloxy)pentane
PubChem CID58862763
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name1-(3-methylbut-2-en-2-yloxy)pentane
SMILESCCCCCOC(C)=C(C)C
InChIInChI=1S/C10H20O/c1-5-6-7-8-11-10(4)9(2)3/h5-8H2,1-4H3
InChIKeyVLVHAHXBBVBXEN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-Butoxy-3-methylbut-2-ene
CID 85783026
2-Butene, 2-methyl-3-(1-methylethoxy)-
CID 521741
Pentane, 3-[(1,2-dimethyl-1-propenyl)oxy]-
CID 521765
1-(3-Methylbut-2-en-2-yloxy)octane
CID 20647696
2-Methyl-3-propoxybut-2-ene
CID 20806751
4-(3-Methylbut-2-en-2-yloxy)heptane
CID 123198538
3-Methylbut-2-en-2-yloxycyclohexane
CID 140500835
3-(3-Methylbut-2-en-2-yloxymethyl)pentane
CID 149747894
2-Methyl-1-(3-methylbut-2-en-2-yloxy)butane
CID 150088087
3-Methyl-1-(3-methylbut-2-en-2-yloxy)butane
CID 150252231
1-(3-Methylbut-2-en-2-yloxy)nonane
CID 151365859
1-(3-Methylbut-2-en-2-yloxy)heptane
CID 152495326

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-en-2-yloxy)pentane?
The IUPAC name of 1-(3-methylbut-2-en-2-yloxy)pentane (CID 58862763) is 1-(3-methylbut-2-en-2-yloxy)pentane.
What is the SMILES notation for 1-(3-methylbut-2-en-2-yloxy)pentane?
The canonical SMILES for 1-(3-methylbut-2-en-2-yloxy)pentane is CCCCCOC(C)=C(C)C.
What is the InChIKey of 1-(3-methylbut-2-en-2-yloxy)pentane?
The InChIKey is VLVHAHXBBVBXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-6-7-8-11-10(4)9(2)3/h5-8H2,1-4H3.
What are the key properties of 1-(3-methylbut-2-en-2-yloxy)pentane?
1-(3-methylbut-2-en-2-yloxy)pentane has a molecular weight of 156.27 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-en-2-yloxy)pentane is sourced from PubChem (CID 58862763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).