2-(1-butoxyethoxy)prop-2-en-1-ol

C9H18O3 — CID 10583374

IUPAC2-(1-butoxyethoxy)prop-2-en-1-ol
SMILESC=C(CO)OC(C)OCCCC
InChIInChI=1S/C9H18O3/c1-4-5-6-11-9(3)12-8(2)7-10/h9-10H,2,4-7H2,1,3H3
InChIKeyPZEDAVANDQEDSI-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.67
Rot. Bonds7

About 2-(1-butoxyethoxy)prop-2-en-1-ol

2-(1-butoxyethoxy)prop-2-en-1-ol (PubChem CID 10583374) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(1-butoxyethoxy)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(1-butoxyethoxy)prop-2-en-1-ol
PubChem CID10583374
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(1-butoxyethoxy)prop-2-en-1-ol
SMILESC=C(CO)OC(C)OCCCC
InChIInChI=1S/C9H18O3/c1-4-5-6-11-9(3)12-8(2)7-10/h9-10H,2,4-7H2,1,3H3
InChIKeyPZEDAVANDQEDSI-UHFFFAOYSA-N
XLogP1.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(1-butoxyethoxy)prop-2-en-1-ol 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 2-(1-butoxyethoxy)prop-2-en-1-ol?
The IUPAC name of 2-(1-butoxyethoxy)prop-2-en-1-ol (CID 10583374) is 2-(1-butoxyethoxy)prop-2-en-1-ol.
What is the SMILES notation for 2-(1-butoxyethoxy)prop-2-en-1-ol?
The canonical SMILES for 2-(1-butoxyethoxy)prop-2-en-1-ol is C=C(CO)OC(C)OCCCC.
What is the InChIKey of 2-(1-butoxyethoxy)prop-2-en-1-ol?
The InChIKey is PZEDAVANDQEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-6-11-9(3)12-8(2)7-10/h9-10H,2,4-7H2,1,3H3.
What are the key properties of 2-(1-butoxyethoxy)prop-2-en-1-ol?
2-(1-butoxyethoxy)prop-2-en-1-ol has a molecular weight of 174.24 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butoxyethoxy)prop-2-en-1-ol is sourced from PubChem (CID 10583374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).