(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane

C19H36O3 — CID 146256413

IUPAC(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane
SMILESCCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(=C/COC)CC)O1
InChIInChI=1S/C19H36O3/c1-6-8-19-21-14-18(22-19)13-16(4)15(3)9-10-17(7-2)11-12-20-5/h11,15-16,18-19H,6-10,12-14H2,1-5H3/b17-11+/t15-,16?,18+,19?/m0/s1
InChIKeyVBYRKPYSBKRUDD-LFGGFDAOSA-N
MW312.49 g/mol
LogP4.95
Rot. Bonds11

About (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane

(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane (PubChem CID 146256413) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane
PubChem CID146256413
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane
SMILESCCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(=C/COC)CC)O1
InChIInChI=1S/C19H36O3/c1-6-8-19-21-14-18(22-19)13-16(4)15(3)9-10-17(7-2)11-12-20-5/h11,15-16,18-19H,6-10,12-14H2,1-5H3/b17-11+/t15-,16?,18+,19?/m0/s1
InChIKeyVBYRKPYSBKRUDD-LFGGFDAOSA-N
XLogP4.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane?
The IUPAC name of (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane (CID 146256413) is (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane is CCCC1OC[C@@H](CC(C)[C@@H](C)CC/C(=C/COC)CC)O1.
What is the InChIKey of (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane?
The InChIKey is VBYRKPYSBKRUDD-LFGGFDAOSA-N. The full InChI is InChI=1S/C19H36O3/c1-6-8-19-21-14-18(22-19)13-16(4)15(3)9-10-17(7-2)11-12-20-5/h11,15-16,18-19H,6-10,12-14H2,1-5H3/b17-11+/t15-,16?,18+,19?/m0/s1.
What are the key properties of (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane?
(4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane has a molecular weight of 312.49 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E,3S)-6-ethyl-8-methoxy-2,3-dimethyloct-6-enyl]-2-propyl-1,3-dioxolane is sourced from PubChem (CID 146256413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).