1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol

C15H26O4 — CID 88911865

IUPAC1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol
SMILESC=CC(O)OCC(C=C)OCC(C=C)OCCCC
InChIInChI=1S/C15H26O4/c1-5-9-10-17-13(6-2)11-18-14(7-3)12-19-15(16)8-4/h6-8,13-16H,2-5,9-12H2,1H3
InChIKeyQQSIYHRWYHTCSH-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.45
Rot. Bonds13

About 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol

1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol (PubChem CID 88911865) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol
PubChem CID88911865
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol
SMILESC=CC(O)OCC(C=C)OCC(C=C)OCCCC
InChIInChI=1S/C15H26O4/c1-5-9-10-17-13(6-2)11-18-14(7-3)12-19-15(16)8-4/h6-8,13-16H,2-5,9-12H2,1H3
InChIKeyQQSIYHRWYHTCSH-UHFFFAOYSA-N
XLogP2.45
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]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

Related Compounds

2-butoxybut-3-enyl 2-methylprop-2-enoate
CID 102248308
1-pent-1-en-3-yloxypentane
CID 88898435
3-propoxynonadec-1-ene
CID 87204997
1-octa-1,7-dien-3-yloxyoctane
CID 139990053
butyl (2R)-2-hydroxy-4-methylidenehex-5-enoate
CID 165353919
(3S)-4-methoxy-3-(2-nitrosoethoxy)but-1-ene
CID 91068700
2-hexadecoxybut-3-enyl 4-methylbenzenesulfonate
CID 54123673
2-dodec-1-en-3-yloxyethyl hydrogen sulfate
CID 87607745
2-butoxycarbonylbut-3-enoic acid
CID 150960339
(3R)-4-methoxy-3-[(2R)-1-methoxybut-3-en-2-yl]oxybut-1-ene
CID 124562631
3-oct-1-en-3-yloxyoct-1-ene
CID 21413587
1-(2-methylprop-2-enoxy)prop-2-en-1-ol
CID 56607724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol?
The IUPAC name of 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol (CID 88911865) is 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol.
What is the SMILES notation for 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol?
The canonical SMILES for 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol is C=CC(O)OCC(C=C)OCC(C=C)OCCCC.
What is the InChIKey of 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol?
The InChIKey is QQSIYHRWYHTCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-9-10-17-13(6-2)11-18-14(7-3)12-19-15(16)8-4/h6-8,13-16H,2-5,9-12H2,1H3.
What are the key properties of 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol?
1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol has a molecular weight of 270.37 g/mol, XLogP of 2.45, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-butoxybut-3-enoxy)but-3-enoxy]prop-2-en-1-ol is sourced from PubChem (CID 88911865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).