2-prop-2-enylhex-5-ene-1,2,3-triol

C9H16O3 — CID 87060923

IUPAC2-prop-2-enylhex-5-ene-1,2,3-triol
SMILESC=CCC(O)C(O)(CO)CC=C
InChIInChI=1S/C9H16O3/c1-3-5-8(11)9(12,7-10)6-4-2/h3-4,8,10-12H,1-2,5-7H2
InChIKeyBNQLJYJRLREIEQ-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.22
Rot. Bonds6

About 2-prop-2-enylhex-5-ene-1,2,3-triol

2-prop-2-enylhex-5-ene-1,2,3-triol (PubChem CID 87060923) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-prop-2-enylhex-5-ene-1,2,3-triol.

Molecular Properties

Compound Name2-prop-2-enylhex-5-ene-1,2,3-triol
PubChem CID87060923
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-prop-2-enylhex-5-ene-1,2,3-triol
SMILESC=CCC(O)C(O)(CO)CC=C
InChIInChI=1S/C9H16O3/c1-3-5-8(11)9(12,7-10)6-4-2/h3-4,8,10-12H,1-2,5-7H2
InChIKeyBNQLJYJRLREIEQ-UHFFFAOYSA-N
XLogP0.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylhex-5-ene-1,2,3-triol?
The IUPAC name of 2-prop-2-enylhex-5-ene-1,2,3-triol (CID 87060923) is 2-prop-2-enylhex-5-ene-1,2,3-triol.
What is the SMILES notation for 2-prop-2-enylhex-5-ene-1,2,3-triol?
The canonical SMILES for 2-prop-2-enylhex-5-ene-1,2,3-triol is C=CCC(O)C(O)(CO)CC=C.
What is the InChIKey of 2-prop-2-enylhex-5-ene-1,2,3-triol?
The InChIKey is BNQLJYJRLREIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-5-8(11)9(12,7-10)6-4-2/h3-4,8,10-12H,1-2,5-7H2.
What are the key properties of 2-prop-2-enylhex-5-ene-1,2,3-triol?
2-prop-2-enylhex-5-ene-1,2,3-triol has a molecular weight of 172.22 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylhex-5-ene-1,2,3-triol is sourced from PubChem (CID 87060923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).