methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate

C14H24O4 — CID 11076065

IUPACmethyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
SMILESC=C(C)[C@H](CCC1(C)OCCO1)C(C)C(=O)OC
InChIInChI=1S/C14H24O4/c1-10(2)12(11(3)13(15)16-5)6-7-14(4)17-8-9-18-14/h11-12H,1,6-9H2,2-5H3/t11?,12-/m0/s1
InChIKeyZSOFVAOOLZTHSS-KIYNQFGBSA-N
MW256.34 g/mol
LogP2.53
Rot. Bonds6

About methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate

methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate (PubChem CID 11076065) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
PubChem CID11076065
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Namemethyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate
SMILESC=C(C)[C@H](CCC1(C)OCCO1)C(C)C(=O)OC
InChIInChI=1S/C14H24O4/c1-10(2)12(11(3)13(15)16-5)6-7-14(4)17-8-9-18-14/h11-12H,1,6-9H2,2-5H3/t11?,12-/m0/s1
InChIKeyZSOFVAOOLZTHSS-KIYNQFGBSA-N
XLogP2.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The IUPAC name of methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate (CID 11076065) is methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate.
What is the SMILES notation for methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The canonical SMILES for methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate is C=C(C)[C@H](CCC1(C)OCCO1)C(C)C(=O)OC.
What is the InChIKey of methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
The InChIKey is ZSOFVAOOLZTHSS-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H24O4/c1-10(2)12(11(3)13(15)16-5)6-7-14(4)17-8-9-18-14/h11-12H,1,6-9H2,2-5H3/t11?,12-/m0/s1.
What are the key properties of methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate?
methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-2,4-dimethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pent-4-enoate is sourced from PubChem (CID 11076065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).