(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid

C10H16O4 — CID 150607007

IUPAC(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-5-7(9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyITBXOZDIZDPHAU-HTQZYQBOSA-N
MW200.23 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid

(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid (PubChem CID 150607007) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid.

Molecular Properties

Compound Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid
PubChem CID150607007
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid
SMILESC=CC[C@@H](C(=O)O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H16O4/c1-4-5-7(9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m1/s1
InChIKeyITBXOZDIZDPHAU-HTQZYQBOSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid with MolForge

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Related Compounds

(4S)-4-[(1R)-1-carboxy-but-3-enyl]-2,2-dimethyl-1,3-dioxolan-5-one
CID 59875758
Ethyl 2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 13899462
2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 16724813
2-Ethyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoic acid
CID 19599018
Tert-butyl 2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoate
CID 45258311
2-(2-Methyl-1,3-dioxolan-2-yl)but-3-enoic acid
CID 70308921
(2S)-2-[(1S)-1-hydroxy-2-pentoxyethyl]but-3-enoic acid
CID 88159021
3-(1,4-Dimethoxybutan-2-yloxycarbonyl)hex-5-enoic acid
CID 88728522
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)pent-4-enoic acid
CID 157055093
2-(2-Methyl-1,3-dioxolan-2-yl)pent-4-enoic acid;2-methyl-2-pent-4-en-2-yl-1,3-dioxolane;molecular iodine
CID 161470423
(Z)-5-(2-methylcyclopropyl)-2-(2-methyl-1,3-dioxolan-2-yl)pent-4-enoic acid
CID 163508371
2-(2,2-Dimethyl-5-oxo-1,3-dioxolan-4-yl)pent-4-enoic acid
CID 18319314

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid?
The IUPAC name of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid (CID 150607007) is (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid.
What is the SMILES notation for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid?
The canonical SMILES for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid is C=CC[C@@H](C(=O)O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid?
The InChIKey is ITBXOZDIZDPHAU-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-5-7(9(11)12)8-6-13-10(2,3)14-8/h4,7-8H,1,5-6H2,2-3H3,(H,11,12)/t7-,8-/m1/s1.
What are the key properties of (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid?
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enoic acid is sourced from PubChem (CID 150607007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).