(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane

C13H26O3 — CID 130349116

IUPAC(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane
SMILESCOCCC[C@@H](C)C[C@@]1(COC)CCCO1
InChIInChI=1S/C13H26O3/c1-12(6-4-8-14-2)10-13(11-15-3)7-5-9-16-13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyRBJHMIJVASQNKS-CHWSQXEVSA-N
MW230.35 g/mol
LogP2.63
Rot. Bonds8

About (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane

(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane (PubChem CID 130349116) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane.

Molecular Properties

Compound Name(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane
PubChem CID130349116
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane
SMILESCOCCC[C@@H](C)C[C@@]1(COC)CCCO1
InChIInChI=1S/C13H26O3/c1-12(6-4-8-14-2)10-13(11-15-3)7-5-9-16-13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyRBJHMIJVASQNKS-CHWSQXEVSA-N
XLogP2.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane 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 (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane?
The IUPAC name of (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane (CID 130349116) is (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane.
What is the SMILES notation for (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane?
The canonical SMILES for (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane is COCCC[C@@H](C)C[C@@]1(COC)CCCO1.
What is the InChIKey of (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane?
The InChIKey is RBJHMIJVASQNKS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26O3/c1-12(6-4-8-14-2)10-13(11-15-3)7-5-9-16-13/h12H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane?
(2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane has a molecular weight of 230.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methoxymethyl)-2-[(2R)-5-methoxy-2-methylpentyl]oxolane is sourced from PubChem (CID 130349116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).