(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane

C11H20O2 — CID 102572271

IUPAC(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@]1(C)O[C@@H](C(C)C)O[C@H]1C
InChIInChI=1S/C11H20O2/c1-7(2)10-12-9(5)11(6,13-10)8(3)4/h7,9-10H,3H2,1-2,4-6H3/t9-,10-,11-/m0/s1
InChIKeyMCGCTSFLLJTHOZ-DCAQKATOSA-N
MW184.28 g/mol
LogP2.74
Rot. Bonds2

About (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane

(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 102572271) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane
PubChem CID102572271
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)[C@]1(C)O[C@@H](C(C)C)O[C@H]1C
InChIInChI=1S/C11H20O2/c1-7(2)10-12-9(5)11(6,13-10)8(3)4/h7,9-10H,3H2,1-2,4-6H3/t9-,10-,11-/m0/s1
InChIKeyMCGCTSFLLJTHOZ-DCAQKATOSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-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 (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane (CID 102572271) is (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane is C=C(C)[C@]1(C)O[C@@H](C(C)C)O[C@H]1C.
What is the InChIKey of (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is MCGCTSFLLJTHOZ-DCAQKATOSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)10-12-9(5)11(6,13-10)8(3)4/h7,9-10H,3H2,1-2,4-6H3/t9-,10-,11-/m0/s1.
What are the key properties of (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane?
(2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-4,5-dimethyl-2-propan-2-yl-4-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 102572271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).