1-butoxy-2-methylidenecyclopropane

C8H14O — CID 14360795

IUPAC1-butoxy-2-methylidenecyclopropane
SMILESC=C1CC1OCCCC
InChIInChI=1S/C8H14O/c1-3-4-5-9-8-6-7(8)2/h8H,2-6H2,1H3
InChIKeyGPHOJTKSYUHMTH-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds4

About 1-butoxy-2-methylidenecyclopropane

1-butoxy-2-methylidenecyclopropane (PubChem CID 14360795) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-butoxy-2-methylidenecyclopropane.

Molecular Properties

Compound Name1-butoxy-2-methylidenecyclopropane
PubChem CID14360795
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-butoxy-2-methylidenecyclopropane
SMILESC=C1CC1OCCCC
InChIInChI=1S/C8H14O/c1-3-4-5-9-8-6-7(8)2/h8H,2-6H2,1H3
InChIKeyGPHOJTKSYUHMTH-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-methylidenecyclopropane?
The IUPAC name of 1-butoxy-2-methylidenecyclopropane (CID 14360795) is 1-butoxy-2-methylidenecyclopropane.
What is the SMILES notation for 1-butoxy-2-methylidenecyclopropane?
The canonical SMILES for 1-butoxy-2-methylidenecyclopropane is C=C1CC1OCCCC.
What is the InChIKey of 1-butoxy-2-methylidenecyclopropane?
The InChIKey is GPHOJTKSYUHMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-9-8-6-7(8)2/h8H,2-6H2,1H3.
What are the key properties of 1-butoxy-2-methylidenecyclopropane?
1-butoxy-2-methylidenecyclopropane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-methylidenecyclopropane is sourced from PubChem (CID 14360795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).