(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

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Related Compounds

(3R,4R)-4-(hydroxymethyl)-2-methyl-2-propyloxolane-3,4-diol
CID 154968315
(3R,4R)-3,4-dihydroxy-5-methyl-5-propyloxolane-3-carboxylic acid
CID 154968308
(4S)-2,2,4-trimethyl-4-propyl-1,3-dioxolane
CID 58254236
3-bromo-2-methyl-2-propyloxirane
CID 141287947
[(2S,3S)-3-methyl-3-propyloxiran-2-yl]methanol
CID 130892033
cis-(1R,3R)-1-propylcyclohexane-1,3-diol
CID 172696211
2,3-dimethyl-2-propyloxetane
CID 89191195
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
1,2-dimethyl-2-propylcyclopentan-1-ol
CID 131101146
2-methyl-2-propylcyclobutan-1-ol
CID 89040523
9-[(1R,2S,5R)-5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ol
CID 13247573
9-[(5R)-5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2,6-dimethylnon-2-en-5-ol
CID 70602908

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).