2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol

C12H20O3 — CID 175358569

IUPAC2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol
SMILESC=CCCC(CC=C)(CC=C)C(O)(O)O
InChIInChI=1S/C12H20O3/c1-4-7-10-11(8-5-2,9-6-3)12(13,14)15/h4-6,13-15H,1-3,7-10H2
InChIKeyKIGCZTMDXGRJLC-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.72
Rot. Bonds8

About 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol

2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol (PubChem CID 175358569) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol
PubChem CID175358569
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol
SMILESC=CCCC(CC=C)(CC=C)C(O)(O)O
InChIInChI=1S/C12H20O3/c1-4-7-10-11(8-5-2,9-6-3)12(13,14)15/h4-6,13-15H,1-3,7-10H2
InChIKeyKIGCZTMDXGRJLC-UHFFFAOYSA-N
XLogP1.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.72
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)hex-5-ene-1,1,1-triol?
The IUPAC name of 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol (CID 175358569) is 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol.
What is the SMILES notation for 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol?
The canonical SMILES for 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol is C=CCCC(CC=C)(CC=C)C(O)(O)O.
What is the InChIKey of 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol?
The InChIKey is KIGCZTMDXGRJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-7-10-11(8-5-2,9-6-3)12(13,14)15/h4-6,13-15H,1-3,7-10H2.
What are the key properties of 2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol?
2,2-bis(prop-2-enyl)hex-5-ene-1,1,1-triol has a molecular weight of 212.29 g/mol, XLogP of 1.72, 8 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)hex-5-ene-1,1,1-triol is sourced from PubChem (CID 175358569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).