(3S)-3-(4-methyloctan-4-yloxy)oxolane

C13H26O2 — CID 154936656

IUPAC(3S)-3-(4-methyloctan-4-yloxy)oxolane
SMILESCCCCC(C)(CCC)O[C@H]1CCOC1
InChIInChI=1S/C13H26O2/c1-4-6-9-13(3,8-5-2)15-12-7-10-14-11-12/h12H,4-11H2,1-3H3/t12-,13?/m0/s1
InChIKeyKLPXQEQEMWLGLF-UEWDXFNNSA-N
MW214.35 g/mol
LogP3.54
Rot. Bonds7

About (3S)-3-(4-methyloctan-4-yloxy)oxolane

(3S)-3-(4-methyloctan-4-yloxy)oxolane (PubChem CID 154936656) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3S)-3-(4-methyloctan-4-yloxy)oxolane.

Molecular Properties

Compound Name(3S)-3-(4-methyloctan-4-yloxy)oxolane
PubChem CID154936656
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(3S)-3-(4-methyloctan-4-yloxy)oxolane
SMILESCCCCC(C)(CCC)O[C@H]1CCOC1
InChIInChI=1S/C13H26O2/c1-4-6-9-13(3,8-5-2)15-12-7-10-14-11-12/h12H,4-11H2,1-3H3/t12-,13?/m0/s1
InChIKeyKLPXQEQEMWLGLF-UEWDXFNNSA-N
XLogP3.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-(4-methyloctan-4-yloxy)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 (3S)-3-(4-methyloctan-4-yloxy)oxolane?
The IUPAC name of (3S)-3-(4-methyloctan-4-yloxy)oxolane (CID 154936656) is (3S)-3-(4-methyloctan-4-yloxy)oxolane.
What is the SMILES notation for (3S)-3-(4-methyloctan-4-yloxy)oxolane?
The canonical SMILES for (3S)-3-(4-methyloctan-4-yloxy)oxolane is CCCCC(C)(CCC)O[C@H]1CCOC1.
What is the InChIKey of (3S)-3-(4-methyloctan-4-yloxy)oxolane?
The InChIKey is KLPXQEQEMWLGLF-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-6-9-13(3,8-5-2)15-12-7-10-14-11-12/h12H,4-11H2,1-3H3/t12-,13?/m0/s1.
What are the key properties of (3S)-3-(4-methyloctan-4-yloxy)oxolane?
(3S)-3-(4-methyloctan-4-yloxy)oxolane has a molecular weight of 214.35 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methyloctan-4-yloxy)oxolane is sourced from PubChem (CID 154936656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).