4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol

C19H38O5 — CID 19068478

IUPAC4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
SMILESC=CCOCCCCOCCCCOCCCCOCCCCO
InChIInChI=1S/C19H38O5/c1-2-12-21-14-5-6-16-23-18-9-10-19-24-17-8-7-15-22-13-4-3-11-20/h2,20H,1,3-19H2
InChIKeyLDOVWIFEWVVFFM-UHFFFAOYSA-N
MW346.51 g/mol
LogP3.35
Rot. Bonds21

About 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol

4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol (PubChem CID 19068478) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
PubChem CID19068478
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
SMILESC=CCOCCCCOCCCCOCCCCOCCCCO
InChIInChI=1S/C19H38O5/c1-2-12-21-14-5-6-16-23-18-9-10-19-24-17-8-7-15-22-13-4-3-11-20/h2,20H,1,3-19H2
InChIKeyLDOVWIFEWVVFFM-UHFFFAOYSA-N
XLogP3.35
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
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-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol?
The IUPAC name of 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol (CID 19068478) is 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol.
What is the SMILES notation for 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol?
The canonical SMILES for 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol is C=CCOCCCCOCCCCOCCCCOCCCCO.
What is the InChIKey of 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol?
The InChIKey is LDOVWIFEWVVFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O5/c1-2-12-21-14-5-6-16-23-18-9-10-19-24-17-8-7-15-22-13-4-3-11-20/h2,20H,1,3-19H2.
What are the key properties of 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol?
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol has a molecular weight of 346.51 g/mol, XLogP of 3.35, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol is sourced from PubChem (CID 19068478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).