[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol

C9H18O2 — CID 159262400

IUPAC[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
SMILESCCC[C@H]1CC(C)[C@@H](CO)O1
InChIInChI=1S/C9H18O2/c1-3-4-8-5-7(2)9(6-10)11-8/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyPRWYCJLBONBUHN-SXNZSPLWSA-N
MW158.24 g/mol
LogP1.57
Rot. Bonds3

About [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol

[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol (PubChem CID 159262400) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
PubChem CID159262400
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol
SMILESCCC[C@H]1CC(C)[C@@H](CO)O1
InChIInChI=1S/C9H18O2/c1-3-4-8-5-7(2)9(6-10)11-8/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyPRWYCJLBONBUHN-SXNZSPLWSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Poly(oxy-1,2-ethanediyl), alpha-(3,5-dimethyl-1-(2-methylpropyl)hexyl)-omega-hydroxy-
CID 24982
(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-5-propyloctyl]oxolan-2-yl]oxolan-2-yl]undecan-1-ol
CID 44413253
(1R)-5-ethyl-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-5-ethyl-1-hydroxynonyl]oxolan-2-yl]oxolan-2-yl]nonan-1-ol
CID 44413378
Communiol E
CID 44575410
1,4-Anhydro-2,5-dideoxy-1-ethyl-1-propylpentitol
CID 23197
1,4-Anhydro-2,5-dideoxy-1,4-diethylpentitol
CID 34720
5-(Oxolan-2-ylmethyl)heptan-2-ol
CID 551274
2-Furanmethanol, tetrahydro-alpha-pentyl-
CID 109416
(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxy-5-propyloctyl]oxolan-2-yl]oxolan-2-yl]-5-propyloctan-1-ol
CID 44413254
2-(5-Methyl-5-(oxiran-2-yl)-tetrahydrofuran-2-yl)propan-1-ol
CID 91264076
2-(1-Hydroxy-1-methylethyl)-5-methyltetrahydrofuran
CID 13346424
2-[(2R,5S)-5-methyloxolan-2-yl]propan-2-ol
CID 10909691

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol (CID 159262400) is [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol is CCC[C@H]1CC(C)[C@@H](CO)O1.
What is the InChIKey of [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol?
The InChIKey is PRWYCJLBONBUHN-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-8-5-7(2)9(6-10)11-8/h7-10H,3-6H2,1-2H3/t7?,8-,9+/m0/s1.
What are the key properties of [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol?
[(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-3-methyl-5-propyloxolan-2-yl]methanol is sourced from PubChem (CID 159262400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).