(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol

C24H36O5 — CID 67122226

IUPAC(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
SMILESCC#CCC/C=C(\C)C(O)CC#CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C24H36O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h12,22,25H,6,8-9,11,13-20H2,1-3H3/b21-12+
InChIKeySUVWKIWKXMLLSC-CIAFOILYSA-N
MW404.55 g/mol
LogP3.95
Rot. Bonds10

About (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol

(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol (PubChem CID 67122226) has the molecular formula C24H36O5 and a molecular weight of 404.55 g/mol. Its IUPAC name is (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol.

Molecular Properties

Compound Name(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
PubChem CID67122226
Molecular FormulaC24H36O5
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC Name(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol
SMILESCC#CCC/C=C(\C)C(O)CC#CCCCC1(CCC2(C)OCCO2)OCCO1
InChIInChI=1S/C24H36O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h12,22,25H,6,8-9,11,13-20H2,1-3H3/b21-12+
InChIKeySUVWKIWKXMLLSC-CIAFOILYSA-N
XLogP3.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-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 (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol?
The IUPAC name of (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol (CID 67122226) is (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol.
What is the SMILES notation for (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol?
The canonical SMILES for (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol is CC#CCC/C=C(\C)C(O)CC#CCCCC1(CCC2(C)OCCO2)OCCO1.
What is the InChIKey of (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol?
The InChIKey is SUVWKIWKXMLLSC-CIAFOILYSA-N. The full InChI is InChI=1S/C24H36O5/c1-4-5-6-9-12-21(2)22(25)13-10-7-8-11-14-24(28-19-20-29-24)16-15-23(3)26-17-18-27-23/h12,22,25H,6,8-9,11,13-20H2,1-3H3/b21-12+.
What are the key properties of (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol?
(E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol has a molecular weight of 404.55 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-methyl-1-[2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1,3-dioxolan-2-yl]tetradec-8-en-4,12-diyn-7-ol is sourced from PubChem (CID 67122226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).