(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol

C10H20O2 — CID 145143937

IUPAC(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C[C@@H](C)[C@H](C)O1
InChIInChI=1S/C10H20O2/c1-4-5-9(11)10-6-7(2)8(3)12-10/h7-11H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyWVLIUAFXHRCXMF-RGOKHQFPSA-N
MW172.27 g/mol
LogP1.96
Rot. Bonds3

About (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol

(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol (PubChem CID 145143937) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol
PubChem CID145143937
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@@H]1C[C@@H](C)[C@H](C)O1
InChIInChI=1S/C10H20O2/c1-4-5-9(11)10-6-7(2)8(3)12-10/h7-11H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1
InChIKeyWVLIUAFXHRCXMF-RGOKHQFPSA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol with MolForge

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Related Compounds

1-(5-methyloxolan-2-yl)butan-1-ol
CID 82837669
(1R)-1-[(3aR,5S,6aR)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]butan-1-ol
CID 118198785
1-(2,3-dimethylcyclobutyl)butan-1-ol
CID 130831475
2-(1-hydroxybutyl)oxan-4-ol
CID 123732929
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
1-(3-methyloxolan-2-yl)butan-1-ol
CID 115780955
1-(2,6-dimethylcyclohexyl)butan-1-ol
CID 83051760
(1R)-1-[(2S,5R)-5-[(1S)-1-hydroxypentyl]oxolan-2-yl]pentan-1-ol
CID 101238341
1-(5-methyloxolan-2-yl)pentan-1-ol
CID 82837329
1-[(2,4-dimethylcyclobutyl)-methylamino]butan-1-ol
CID 89249287
(1S)-1-(2-methylcyclopentyl)butan-1-ol
CID 127004316
(1R)-1-[(1S,2R)-2-trimethylsilylcyclopropyl]butan-1-ol
CID 10035353

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol (CID 145143937) is (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol is CCC[C@@H](O)[C@@H]1C[C@@H](C)[C@H](C)O1.
What is the InChIKey of (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol?
The InChIKey is WVLIUAFXHRCXMF-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-9(11)10-6-7(2)8(3)12-10/h7-11H,4-6H2,1-3H3/t7-,8+,9-,10+/m1/s1.
What are the key properties of (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol?
(1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,4R,5S)-4,5-dimethyloxolan-2-yl]butan-1-ol is sourced from PubChem (CID 145143937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).