1-(1-methoxybut-3-enyl)-1-methylcyclobutane

C10H18O — CID 54131849

IUPAC1-(1-methoxybut-3-enyl)-1-methylcyclobutane
SMILESC=CCC(OC)C1(C)CCC1
InChIInChI=1S/C10H18O/c1-4-6-9(11-3)10(2)7-5-8-10/h4,9H,1,5-8H2,2-3H3
InChIKeyNUXSTYUYUWFSKE-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds4

About 1-(1-methoxybut-3-enyl)-1-methylcyclobutane

1-(1-methoxybut-3-enyl)-1-methylcyclobutane (PubChem CID 54131849) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(1-methoxybut-3-enyl)-1-methylcyclobutane.

Molecular Properties

Compound Name1-(1-methoxybut-3-enyl)-1-methylcyclobutane
PubChem CID54131849
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(1-methoxybut-3-enyl)-1-methylcyclobutane
SMILESC=CCC(OC)C1(C)CCC1
InChIInChI=1S/C10H18O/c1-4-6-9(11-3)10(2)7-5-8-10/h4,9H,1,5-8H2,2-3H3
InChIKeyNUXSTYUYUWFSKE-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxybut-3-enyl)-1-methylcyclobutane?
The IUPAC name of 1-(1-methoxybut-3-enyl)-1-methylcyclobutane (CID 54131849) is 1-(1-methoxybut-3-enyl)-1-methylcyclobutane.
What is the SMILES notation for 1-(1-methoxybut-3-enyl)-1-methylcyclobutane?
The canonical SMILES for 1-(1-methoxybut-3-enyl)-1-methylcyclobutane is C=CCC(OC)C1(C)CCC1.
What is the InChIKey of 1-(1-methoxybut-3-enyl)-1-methylcyclobutane?
The InChIKey is NUXSTYUYUWFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-9(11-3)10(2)7-5-8-10/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 1-(1-methoxybut-3-enyl)-1-methylcyclobutane?
1-(1-methoxybut-3-enyl)-1-methylcyclobutane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxybut-3-enyl)-1-methylcyclobutane is sourced from PubChem (CID 54131849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).