(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol

C9H16O2 — CID 135079442

IUPAC(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
SMILESC=CCOC[C@H](O)/C=C\CC
InChIInChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h4-6,9-10H,2-3,7-8H2,1H3/b6-5-/t9-/m1/s1
InChIKeyQJOSLBPTPJTQFL-SSJHQANKSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds6

About (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol

(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol (PubChem CID 135079442) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
PubChem CID135079442
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol
SMILESC=CCOC[C@H](O)/C=C\CC
InChIInChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h4-6,9-10H,2-3,7-8H2,1H3/b6-5-/t9-/m1/s1
InChIKeyQJOSLBPTPJTQFL-SSJHQANKSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol?
The IUPAC name of (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol (CID 135079442) is (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol.
What is the SMILES notation for (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol?
The canonical SMILES for (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol is C=CCOC[C@H](O)/C=C\CC.
What is the InChIKey of (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol?
The InChIKey is QJOSLBPTPJTQFL-SSJHQANKSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h4-6,9-10H,2-3,7-8H2,1H3/b6-5-/t9-/m1/s1.
What are the key properties of (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol?
(Z,2R)-1-prop-2-enoxyhex-3-en-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-1-prop-2-enoxyhex-3-en-2-ol is sourced from PubChem (CID 135079442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).