(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol

C10H18O3 — CID 70468172

IUPAC(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol
SMILESCCCC1(C)OCC2(O)CC[C@@H]1O2
InChIInChI=1S/C10H18O3/c1-3-5-9(2)8-4-6-10(11,13-8)7-12-9/h8,11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyXGCJIWVPJXBXGJ-IDKOKCKLSA-N
MW186.25 g/mol
LogP1.44
Rot. Bonds2

About (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol

(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol (PubChem CID 70468172) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol.

Molecular Properties

Compound Name(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol
PubChem CID70468172
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol
SMILESCCCC1(C)OCC2(O)CC[C@@H]1O2
InChIInChI=1S/C10H18O3/c1-3-5-9(2)8-4-6-10(11,13-8)7-12-9/h8,11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1
InChIKeyXGCJIWVPJXBXGJ-IDKOKCKLSA-N
XLogP1.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol 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 (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol?
The IUPAC name of (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol (CID 70468172) is (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol.
What is the SMILES notation for (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol?
The canonical SMILES for (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol is CCCC1(C)OCC2(O)CC[C@@H]1O2.
What is the InChIKey of (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol?
The InChIKey is XGCJIWVPJXBXGJ-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-5-9(2)8-4-6-10(11,13-8)7-12-9/h8,11H,3-7H2,1-2H3/t8-,9?,10?/m0/s1.
What are the key properties of (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol?
(5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-methyl-4-propyl-3,8-dioxabicyclo[3.2.1]octan-1-ol is sourced from PubChem (CID 70468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).