1-but-1-en-2-yloxypentane

C9H18O — CID 139974528

IUPAC1-but-1-en-2-yloxypentane
SMILESC=C(CC)OCCCCC
InChIInChI=1S/C9H18O/c1-4-6-7-8-10-9(3)5-2/h3-8H2,1-2H3
InChIKeyNAXHRIABGADBFF-UHFFFAOYSA-N
MW142.24 g/mol
LogP3.12
Rot. Bonds6

About 1-but-1-en-2-yloxypentane

1-but-1-en-2-yloxypentane (PubChem CID 139974528) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 1-but-1-en-2-yloxypentane.

Molecular Properties

Compound Name1-but-1-en-2-yloxypentane
PubChem CID139974528
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name1-but-1-en-2-yloxypentane
SMILESC=C(CC)OCCCCC
InChIInChI=1S/C9H18O/c1-4-6-7-8-10-9(3)5-2/h3-8H2,1-2H3
InChIKeyNAXHRIABGADBFF-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 53.12
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'}

Analyze 1-but-1-en-2-yloxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yloxypentane?
The IUPAC name of 1-but-1-en-2-yloxypentane (CID 139974528) is 1-but-1-en-2-yloxypentane.
What is the SMILES notation for 1-but-1-en-2-yloxypentane?
The canonical SMILES for 1-but-1-en-2-yloxypentane is C=C(CC)OCCCCC.
What is the InChIKey of 1-but-1-en-2-yloxypentane?
The InChIKey is NAXHRIABGADBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-7-8-10-9(3)5-2/h3-8H2,1-2H3.
What are the key properties of 1-but-1-en-2-yloxypentane?
1-but-1-en-2-yloxypentane has a molecular weight of 142.24 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yloxypentane is sourced from PubChem (CID 139974528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).