methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate

C12H20O5 — CID 10562249

IUPACmethyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate
SMILESC=C(C[C@H](O)C[C@H]1COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C12H20O5/c1-8(11(14)15-4)5-9(13)6-10-7-16-12(2,3)17-10/h9-10,13H,1,5-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyIVIKEGJOVHFLDM-UWVGGRQHSA-N
MW244.29 g/mol
LogP1.01
Rot. Bonds5

About methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate

methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate (PubChem CID 10562249) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate
PubChem CID10562249
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemethyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate
SMILESC=C(C[C@H](O)C[C@H]1COC(C)(C)O1)C(=O)OC
InChIInChI=1S/C12H20O5/c1-8(11(14)15-4)5-9(13)6-10-7-16-12(2,3)17-10/h9-10,13H,1,5-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyIVIKEGJOVHFLDM-UWVGGRQHSA-N
XLogP1.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate 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

Methyl 5-(2-methyl-1,3-dioxolan-2-YL)-2-methylenepentanoate
CID 4116413
Ethyl 2-(2-hydroxypentyl)acrylate
CID 10921239
ethyl 2-[(S)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]prop-2-enoate
CID 23629120
ethyl 2-[(R)-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]prop-2-enoate
CID 23629121
ethyl (4S)-4-[(4S,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenebutanoate
CID 45101603
methyl (4R)-4-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]-4-(methoxymethoxy)-2-methylidenebutanoate
CID 134965242
ethyl 4-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenebutanoate
CID 134997099
Ethyl 7-acetyloxy-4-hydroxy-2-methylideneheptanoate
CID 135005778
methyl (3aR,6S,7aS)-6-hydroxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 135033016
Methyl 2-[[2-(3-hydroxypropyl)-1,3-dioxolan-2-yl]methyl]prop-2-enoate
CID 162409478
methyl (4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenebutanoate
CID 10513629
Methyl 3-hydroxy-4-(methoxymethoxy)-2-methylidenedecanoate
CID 13312378

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate?
The IUPAC name of methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate (CID 10562249) is methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate.
What is the SMILES notation for methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate?
The canonical SMILES for methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate is C=C(C[C@H](O)C[C@H]1COC(C)(C)O1)C(=O)OC.
What is the InChIKey of methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate?
The InChIKey is IVIKEGJOVHFLDM-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20O5/c1-8(11(14)15-4)5-9(13)6-10-7-16-12(2,3)17-10/h9-10,13H,1,5-7H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate?
methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate has a molecular weight of 244.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-2-methylidenepentanoate is sourced from PubChem (CID 10562249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).