4-(4-prop-2-enoxybutoxy)butan-1-ol

C11H22O3 — CID 87308231

IUPAC4-(4-prop-2-enoxybutoxy)butan-1-ol
SMILESC=CCOCCCCOCCCCO
InChIInChI=1S/C11H22O3/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2,12H,1,3-11H2
InChIKeyFTAZZPYJZFKRLY-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.76
Rot. Bonds11

About 4-(4-prop-2-enoxybutoxy)butan-1-ol

4-(4-prop-2-enoxybutoxy)butan-1-ol (PubChem CID 87308231) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-(4-prop-2-enoxybutoxy)butan-1-ol.

Molecular Properties

Compound Name4-(4-prop-2-enoxybutoxy)butan-1-ol
PubChem CID87308231
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-(4-prop-2-enoxybutoxy)butan-1-ol
SMILESC=CCOCCCCOCCCCO
InChIInChI=1S/C11H22O3/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2,12H,1,3-11H2
InChIKeyFTAZZPYJZFKRLY-UHFFFAOYSA-N
XLogP1.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
ethane-1,2-diol;4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol
CID 87472116
sodium;hydride;3-prop-2-enoxypropan-1-ol;sulfuric acid
CID 173133422
4-[6-(3-hydroxypropoxy)hexoxy]butan-1-ol
CID 90752305
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
11-(2-prop-2-enoxyethoxy)undecane-1-thiol
CID 59422673
3-prop-2-enoxypropan-1-olate
CID 58860427
12-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]dodecan-1-ol
CID 134883585
8-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]octan-1-ol
CID 134883516
5-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]pentan-1-ol
CID 87403032

Frequently Asked Questions

What is the IUPAC name of 4-(4-prop-2-enoxybutoxy)butan-1-ol?
The IUPAC name of 4-(4-prop-2-enoxybutoxy)butan-1-ol (CID 87308231) is 4-(4-prop-2-enoxybutoxy)butan-1-ol.
What is the SMILES notation for 4-(4-prop-2-enoxybutoxy)butan-1-ol?
The canonical SMILES for 4-(4-prop-2-enoxybutoxy)butan-1-ol is C=CCOCCCCOCCCCO.
What is the InChIKey of 4-(4-prop-2-enoxybutoxy)butan-1-ol?
The InChIKey is FTAZZPYJZFKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-2-8-13-10-5-6-11-14-9-4-3-7-12/h2,12H,1,3-11H2.
What are the key properties of 4-(4-prop-2-enoxybutoxy)butan-1-ol?
4-(4-prop-2-enoxybutoxy)butan-1-ol has a molecular weight of 202.29 g/mol, XLogP of 1.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-prop-2-enoxybutoxy)butan-1-ol is sourced from PubChem (CID 87308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).