2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol

C11H18O3 — CID 155341339

IUPAC2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
SMILESC=CCC(CC=C)(CC=C)C(O)(O)O
InChIInChI=1S/C11H18O3/c1-4-7-10(8-5-2,9-6-3)11(12,13)14/h4-6,12-14H,1-3,7-9H2
InChIKeyUAQQCASGTJKLHZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.33
Rot. Bonds7

About 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol

2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol (PubChem CID 155341339) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
PubChem CID155341339
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol
SMILESC=CCC(CC=C)(CC=C)C(O)(O)O
InChIInChI=1S/C11H18O3/c1-4-7-10(8-5-2,9-6-3)11(12,13)14/h4-6,12-14H,1-3,7-9H2
InChIKeyUAQQCASGTJKLHZ-UHFFFAOYSA-N
XLogP1.33
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.33
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 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol?
The IUPAC name of 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol (CID 155341339) is 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol.
What is the SMILES notation for 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol?
The canonical SMILES for 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol is C=CCC(CC=C)(CC=C)C(O)(O)O.
What is the InChIKey of 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol?
The InChIKey is UAQQCASGTJKLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-7-10(8-5-2,9-6-3)11(12,13)14/h4-6,12-14H,1-3,7-9H2.
What are the key properties of 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol?
2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol has a molecular weight of 198.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)pent-4-ene-1,1,1-triol is sourced from PubChem (CID 155341339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).