2-prop-2-enylpent-4-ene-1,1,1-triol

C8H14O3 — CID 57033745

IUPAC2-prop-2-enylpent-4-ene-1,1,1-triol
SMILESC=CCC(CC=C)C(O)(O)O
InChIInChI=1S/C8H14O3/c1-3-5-7(6-4-2)8(9,10)11/h3-4,7,9-11H,1-2,5-6H2
InChIKeyDQCBHNGJTQOTDA-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.39
Rot. Bonds5

About 2-prop-2-enylpent-4-ene-1,1,1-triol

2-prop-2-enylpent-4-ene-1,1,1-triol (PubChem CID 57033745) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-ene-1,1,1-triol.

Molecular Properties

Compound Name2-prop-2-enylpent-4-ene-1,1,1-triol
PubChem CID57033745
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-prop-2-enylpent-4-ene-1,1,1-triol
SMILESC=CCC(CC=C)C(O)(O)O
InChIInChI=1S/C8H14O3/c1-3-5-7(6-4-2)8(9,10)11/h3-4,7,9-11H,1-2,5-6H2
InChIKeyDQCBHNGJTQOTDA-UHFFFAOYSA-N
XLogP0.39
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-ene-1,1,1-triol?
The IUPAC name of 2-prop-2-enylpent-4-ene-1,1,1-triol (CID 57033745) is 2-prop-2-enylpent-4-ene-1,1,1-triol.
What is the SMILES notation for 2-prop-2-enylpent-4-ene-1,1,1-triol?
The canonical SMILES for 2-prop-2-enylpent-4-ene-1,1,1-triol is C=CCC(CC=C)C(O)(O)O.
What is the InChIKey of 2-prop-2-enylpent-4-ene-1,1,1-triol?
The InChIKey is DQCBHNGJTQOTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7(6-4-2)8(9,10)11/h3-4,7,9-11H,1-2,5-6H2.
What are the key properties of 2-prop-2-enylpent-4-ene-1,1,1-triol?
2-prop-2-enylpent-4-ene-1,1,1-triol has a molecular weight of 158.20 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-ene-1,1,1-triol is sourced from PubChem (CID 57033745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).