(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane

C10H18O2 — CID 169182793

IUPAC(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane
SMILESC[C@H]1COCC1CC1CCOC1
InChIInChI=1S/C10H18O2/c1-8-5-12-7-10(8)4-9-2-3-11-6-9/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyGPBSMVIRUJACQR-IDKOKCKLSA-N
MW170.25 g/mol
LogP1.70
Rot. Bonds2

About (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane

(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane (PubChem CID 169182793) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane.

Molecular Properties

Compound Name(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane
PubChem CID169182793
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane
SMILESC[C@H]1COCC1CC1CCOC1
InChIInChI=1S/C10H18O2/c1-8-5-12-7-10(8)4-9-2-3-11-6-9/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1
InChIKeyGPBSMVIRUJACQR-IDKOKCKLSA-N
XLogP1.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R)-3-methyl-4-(oxolan-3-ylmethyl)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 (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane?
The IUPAC name of (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane (CID 169182793) is (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane.
What is the SMILES notation for (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane?
The canonical SMILES for (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane is C[C@H]1COCC1CC1CCOC1.
What is the InChIKey of (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane?
The InChIKey is GPBSMVIRUJACQR-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-5-12-7-10(8)4-9-2-3-11-6-9/h8-10H,2-7H2,1H3/t8-,9?,10?/m0/s1.
What are the key properties of (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane?
(3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane has a molecular weight of 170.25 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(oxolan-3-ylmethyl)oxolane is sourced from PubChem (CID 169182793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).