[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate

C22H34O8 — CID 135015069

IUPAC[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate
SMILESC=CCCC(=O)OC(C1COC(C)(C)O1)C(OC(=O)CCC=C)C1COC(C)(C)O1
InChIInChI=1S/C22H34O8/c1-7-9-11-17(23)27-19(15-13-25-21(3,4)29-15)20(28-18(24)12-10-8-2)16-14-26-22(5,6)30-16/h7-8,15-16,19-20H,1-2,9-14H2,3-6H3
InChIKeySTYKBCMGYALEKW-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.05
Rot. Bonds11

About [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate

[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate (PubChem CID 135015069) has the molecular formula C22H34O8 and a molecular weight of 426.51 g/mol. Its IUPAC name is [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate.

Molecular Properties

Compound Name[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate
PubChem CID135015069
Molecular FormulaC22H34O8
Molecular Weight426.51 g/mol
Exact Mass426.23
IUPAC Name[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate
SMILESC=CCCC(=O)OC(C1COC(C)(C)O1)C(OC(=O)CCC=C)C1COC(C)(C)O1
InChIInChI=1S/C22H34O8/c1-7-9-11-17(23)27-19(15-13-25-21(3,4)29-15)20(28-18(24)12-10-8-2)16-14-26-22(5,6)30-16/h7-8,15-16,19-20H,1-2,9-14H2,3-6H3
InChIKeySTYKBCMGYALEKW-UHFFFAOYSA-N
XLogP3.05
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-2-acetyloxy-2-[(2R,3S,4R)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
CID 101999616
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
CID 101999617
[(2R)-2-acetyloxy-2-[(2R,3S,4S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethyl] acetate
CID 134936568
[(3R,6S)-3,4,5-triacetyloxy-6-[2-acetyloxy-2-[(2S,5S)-3,4-diacetyloxy-5-pent-4-enoxyoxolan-2-yl]ethoxy]oxan-2-yl]methyl acetate
CID 134972318
1-[(4R,5R)-5-[(R)-acetyloxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl acetate
CID 135009671
[(3aR,4S,6R,6aR)-2,2-dimethyl-4-pent-4-enoyloxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl pent-4-enoate
CID 135014471
[(3R,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
CID 135014560
[(3S,3aR,6R,6aR)-6-pent-4-enoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] pent-4-enoate
CID 135014561
[1,2-Bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyethyl] pent-4-enoate
CID 135015070
[(3aR,5S,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] pent-4-enoate
CID 154709846
[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl] acetate
CID 24814902
[2-[(2S,3R,4S)-3,4-di(octadec-9-enoyloxy)oxolan-2-yl]-1,3-dioxolan-2-yl]methyl octadec-9-enoate
CID 54498305

Frequently Asked Questions

What is the IUPAC name of [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate?
The IUPAC name of [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate (CID 135015069) is [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate.
What is the SMILES notation for [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate?
The canonical SMILES for [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate is C=CCCC(=O)OC(C1COC(C)(C)O1)C(OC(=O)CCC=C)C1COC(C)(C)O1.
What is the InChIKey of [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate?
The InChIKey is STYKBCMGYALEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O8/c1-7-9-11-17(23)27-19(15-13-25-21(3,4)29-15)20(28-18(24)12-10-8-2)16-14-26-22(5,6)30-16/h7-8,15-16,19-20H,1-2,9-14H2,3-6H3.
What are the key properties of [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate?
[1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate has a molecular weight of 426.51 g/mol, XLogP of 3.05, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-pent-4-enoyloxyethyl] pent-4-enoate is sourced from PubChem (CID 135015069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).