(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane

C12H22O2 — CID 15253211

IUPAC(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane
SMILESCC(C)/C=C/[C@H](C)C1O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H22O2/c1-8(2)6-7-9(3)12-13-10(4)11(5)14-12/h6-12H,1-5H3/b7-6+/t9-,10+,11+/m0/s1
InChIKeyDJFOHXCZRTZGTE-DUASJAGISA-N
MW198.31 g/mol
LogP2.98
Rot. Bonds3

About (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane

(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane (PubChem CID 15253211) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane
PubChem CID15253211
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane
SMILESCC(C)/C=C/[C@H](C)C1O[C@H](C)[C@@H](C)O1
InChIInChI=1S/C12H22O2/c1-8(2)6-7-9(3)12-13-10(4)11(5)14-12/h6-12H,1-5H3/b7-6+/t9-,10+,11+/m0/s1
InChIKeyDJFOHXCZRTZGTE-DUASJAGISA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-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 (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane (CID 15253211) is (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane is CC(C)/C=C/[C@H](C)C1O[C@H](C)[C@@H](C)O1.
What is the InChIKey of (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane?
The InChIKey is DJFOHXCZRTZGTE-DUASJAGISA-N. The full InChI is InChI=1S/C12H22O2/c1-8(2)6-7-9(3)12-13-10(4)11(5)14-12/h6-12H,1-5H3/b7-6+/t9-,10+,11+/m0/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane?
(4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-2-[(E,2S)-5-methylhex-3-en-2-yl]-1,3-dioxolane is sourced from PubChem (CID 15253211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).