1-(1-prop-1-enoxyethoxy)butane

C9H18O2 — CID 173401624

IUPAC1-(1-prop-1-enoxyethoxy)butane
SMILESCC=COC(C)OCCCC
InChIInChI=1S/C9H18O2/c1-4-6-8-11-9(3)10-7-5-2/h5,7,9H,4,6,8H2,1-3H3
InChIKeyAVUKRNKSXAGZNX-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.70
Rot. Bonds6

About 1-(1-prop-1-enoxyethoxy)butane

1-(1-prop-1-enoxyethoxy)butane (PubChem CID 173401624) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(1-prop-1-enoxyethoxy)butane.

Molecular Properties

Compound Name1-(1-prop-1-enoxyethoxy)butane
PubChem CID173401624
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name1-(1-prop-1-enoxyethoxy)butane
SMILESCC=COC(C)OCCCC
InChIInChI=1S/C9H18O2/c1-4-6-8-11-9(3)10-7-5-2/h5,7,9H,4,6,8H2,1-3H3
InChIKeyAVUKRNKSXAGZNX-UHFFFAOYSA-N
XLogP2.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-prop-1-enoxyethoxy)butane with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-butoxyethoxy)-2-methylbutane
CID 90476041
1-butoxyethoxymethanol
CID 19047949
1-[1-(1-methoxyethoxy)ethoxy]butane
CID 22025807
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol
CID 173210897
1-propan-2-yloxybutane;zirconium
CID 174617524
methane;1-propan-2-yloxybutane
CID 158518476
1-prop-1-enylperoxybutane
CID 161452621
1-[1-(dimethoxymethoxy)ethoxy]butane
CID 174779567
1-prop-1-enoxypentan-1-ol
CID 87692033
bis(1-butoxyethyl) sulfate
CID 88713543
2-[(E)-prop-1-enoxy]butane
CID 22498076

Frequently Asked Questions

What is the IUPAC name of 1-(1-prop-1-enoxyethoxy)butane?
The IUPAC name of 1-(1-prop-1-enoxyethoxy)butane (CID 173401624) is 1-(1-prop-1-enoxyethoxy)butane.
What is the SMILES notation for 1-(1-prop-1-enoxyethoxy)butane?
The canonical SMILES for 1-(1-prop-1-enoxyethoxy)butane is CC=COC(C)OCCCC.
What is the InChIKey of 1-(1-prop-1-enoxyethoxy)butane?
The InChIKey is AVUKRNKSXAGZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-6-8-11-9(3)10-7-5-2/h5,7,9H,4,6,8H2,1-3H3.
What are the key properties of 1-(1-prop-1-enoxyethoxy)butane?
1-(1-prop-1-enoxyethoxy)butane has a molecular weight of 158.24 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-prop-1-enoxyethoxy)butane is sourced from PubChem (CID 173401624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).