(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol

C13H24O4 — CID 143447220

IUPAC(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol
SMILESCCCOC/C(=C/C(C)O)C1COC(C)(C)O1
InChIInChI=1S/C13H24O4/c1-5-6-15-8-11(7-10(2)14)12-9-16-13(3,4)17-12/h7,10,12,14H,5-6,8-9H2,1-4H3/b11-7-
InChIKeyYUGNVWSNVADSTH-XFFZJAGNSA-N
MW244.33 g/mol
LogP1.87
Rot. Bonds6

About (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol

(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol (PubChem CID 143447220) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol
PubChem CID143447220
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Name(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol
SMILESCCCOC/C(=C/C(C)O)C1COC(C)(C)O1
InChIInChI=1S/C13H24O4/c1-5-6-15-8-11(7-10(2)14)12-9-16-13(3,4)17-12/h7,10,12,14H,5-6,8-9H2,1-4H3/b11-7-
InChIKeyYUGNVWSNVADSTH-XFFZJAGNSA-N
XLogP1.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-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)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol?
The IUPAC name of (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol (CID 143447220) is (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol.
What is the SMILES notation for (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol?
The canonical SMILES for (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol is CCCOC/C(=C/C(C)O)C1COC(C)(C)O1.
What is the InChIKey of (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol?
The InChIKey is YUGNVWSNVADSTH-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H24O4/c1-5-6-15-8-11(7-10(2)14)12-9-16-13(3,4)17-12/h7,10,12,14H,5-6,8-9H2,1-4H3/b11-7-.
What are the key properties of (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol?
(Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol has a molecular weight of 244.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-propoxypent-3-en-2-ol is sourced from PubChem (CID 143447220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).