(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane

C13H24O2 — CID 10998342

IUPAC(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane
SMILESCCCCC/C=C\C[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m0/s1
InChIKeyXPSSKMQVXXBJJI-LAUAKBEESA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds6

About (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane (PubChem CID 10998342) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane
PubChem CID10998342
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane
SMILESCCCCC/C=C\C[C@H]1COC(C)(C)O1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m0/s1
InChIKeyXPSSKMQVXXBJJI-LAUAKBEESA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane 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 (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane (CID 10998342) is (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane is CCCCC/C=C\C[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane?
The InChIKey is XPSSKMQVXXBJJI-LAUAKBEESA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h8-9,12H,4-7,10-11H2,1-3H3/b9-8-/t12-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[(Z)-oct-2-enyl]-1,3-dioxolane is sourced from PubChem (CID 10998342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).