[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol

C12H24O2 — CID 147504742

IUPAC[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
SMILESCC(C)C1C(C(C)C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C12H24O2/c1-7(2)11-9(5)14-10(6-13)12(11)8(3)4/h7-13H,6H2,1-5H3/t9-,10+,11?,12?/m0/s1
InChIKeyLHCOQSASTYRHFZ-DMOGRIERSA-N
MW200.32 g/mol
LogP2.31
Rot. Bonds3

About [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol

[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol (PubChem CID 147504742) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
PubChem CID147504742
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
SMILESCC(C)C1C(C(C)C)[C@@H](CO)O[C@H]1C
InChIInChI=1S/C12H24O2/c1-7(2)11-9(5)14-10(6-13)12(11)8(3)4/h7-13H,6H2,1-5H3/t9-,10+,11?,12?/m0/s1
InChIKeyLHCOQSASTYRHFZ-DMOGRIERSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 23401540
CID 23401540
6-(hydroxymethyl)-5-propan-2-yloxane-2,4-diol
CID 167208192
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol;(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxane-3,4,5-triol
CID 158253201
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
5-ethoxy-6-(hydroxymethyl)-2-propan-2-yloxane-3,4-diol
CID 134379068
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol (CID 147504742) is [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol is CC(C)C1C(C(C)C)[C@@H](CO)O[C@H]1C.
What is the InChIKey of [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol?
The InChIKey is LHCOQSASTYRHFZ-DMOGRIERSA-N. The full InChI is InChI=1S/C12H24O2/c1-7(2)11-9(5)14-10(6-13)12(11)8(3)4/h7-13H,6H2,1-5H3/t9-,10+,11?,12?/m0/s1.
What are the key properties of [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol?
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol has a molecular weight of 200.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol is sourced from PubChem (CID 147504742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).