[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

C14H24O4 — CID 134857150

IUPAC[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C14H24O4/c1-7-8-10-11(18-14(5,6)17-10)9-16-12(15)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyOWOKHQXOWFCZQN-QWRGUYRKSA-N
MW256.34 g/mol
LogP2.67
Rot. Bonds4

About [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate

[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (PubChem CID 134857150) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
PubChem CID134857150
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C14H24O4/c1-7-8-10-11(18-14(5,6)17-10)9-16-12(15)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1
InChIKeyOWOKHQXOWFCZQN-QWRGUYRKSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate 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

3-[(5R)-4-ethenyl-5-ethyl-1,3-dioxolan-2-yl]propyl 2,2-dimethylpropanoate
CID 393377
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl] prop-2-enoate
CID 11183727
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-enyl] acetate
CID 101441099
[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hex-5-enyl] acetate
CID 101441101
[(4R,5S,6R)-5,6-bis(methoxymethoxy)hept-1-en-4-yl] acetate
CID 134839712
3-(4-Ethyl-5-vinyl-1,3-dioxolan-2-yl)propyl pivalate
CID 496612
2,2-Dimethyl-alpha-vinyl-1,3-dioxolane-4-methanol acetate
CID 13444359
[(1S)-1-[(4S,5S)-5-[(1S)-1-acetyloxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 101032744
[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 11288335
2-Acetoxymethyl-2-(3-buten-1-yl)-1,3-dioxolane
CID 15012344
(5-Ethenyl-2-oxo-1,3-dioxolan-4-yl)methyl propanoate
CID 18353928
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl but-3-enoate
CID 71372976

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate (CID 134857150) is [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is C=CC[C@@H]1OC(C)(C)O[C@H]1COC(=O)C(C)(C)C.
What is the InChIKey of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is OWOKHQXOWFCZQN-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-8-10-11(18-14(5,6)17-10)9-16-12(15)13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m0/s1.
What are the key properties of [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate?
[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 256.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 134857150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).