(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane

C16H30O3 — CID 70845211

IUPAC(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)OC
InChIInChI=1S/C16H30O3/c1-8-13-15(19-16(5,6)18-13)14(17-7)10-9-12(4)11(2)3/h9-15H,8H2,1-7H3/b10-9-/t12-,13+,14?,15+/m1/s1
InChIKeyFMWODMYNKMIQBK-HYSJPGNXSA-N
MW270.41 g/mol
LogP3.78
Rot. Bonds6

About (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane

(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 70845211) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID70845211
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Name(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)OC
InChIInChI=1S/C16H30O3/c1-8-13-15(19-16(5,6)18-13)14(17-7)10-9-12(4)11(2)3/h9-15H,8H2,1-7H3/b10-9-/t12-,13+,14?,15+/m1/s1
InChIKeyFMWODMYNKMIQBK-HYSJPGNXSA-N
XLogP3.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-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,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane (CID 70845211) is (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane is CC[C@@H]1OC(C)(C)O[C@@H]1C(/C=C\[C@@H](C)C(C)C)OC.
What is the InChIKey of (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FMWODMYNKMIQBK-HYSJPGNXSA-N. The full InChI is InChI=1S/C16H30O3/c1-8-13-15(19-16(5,6)18-13)14(17-7)10-9-12(4)11(2)3/h9-15H,8H2,1-7H3/b10-9-/t12-,13+,14?,15+/m1/s1.
What are the key properties of (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane?
(4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 270.41 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-ethyl-5-[(Z,4S)-1-methoxy-4,5-dimethylhex-2-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 70845211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).