[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol

C12H24O2 — CID 59651572

IUPAC[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
SMILESCC(C)[C@@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C12H24O2/c1-7(2)12-10(5)8(3)9(4)11(6-13)14-12/h7-13H,6H2,1-5H3/t8-,9-,10+,11+,12-/m0/s1
InChIKeyUFMAMDQAMNZZBH-HGCLJGPKSA-N
MW200.32 g/mol
LogP2.31
Rot. Bonds2

About [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol

[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol (PubChem CID 59651572) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
PubChem CID59651572
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
SMILESCC(C)[C@@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@H]1C
InChIInChI=1S/C12H24O2/c1-7(2)12-10(5)8(3)9(4)11(6-13)14-12/h7-13H,6H2,1-5H3/t8-,9-,10+,11+,12-/m0/s1
InChIKeyUFMAMDQAMNZZBH-HGCLJGPKSA-N
XLogP2.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
[(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
(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
(3S,4R,6S)-6-[(3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-5-methyl-6-propan-2-yloxan-3-yl]oxy-2-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 90335931
CID 23401540
CID 23401540
[(2S,5S)-5-methyl-3,4-di(propan-2-yl)oxolan-2-yl]methanol
CID 147504742
[(3S,4R,6R)-3,4-dimethyl-6-propan-2-yl-3,4,5,6-tetrahydro-2H-pyran-5-id-2-yl]methanol;yttrium
CID 146746117
(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
CID 20660413
[(2R,3R)-3-[(2S)-butan-2-yl]oxiran-2-yl]methanol
CID 11094654
(2R,5R)-6-(hydroxymethyl)-2,4,5-trimethyloxan-3-ol
CID 168899706

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol (CID 59651572) is [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol is CC(C)[C@@H]1O[C@H](CO)[C@@H](C)[C@H](C)[C@H]1C.
What is the InChIKey of [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol?
The InChIKey is UFMAMDQAMNZZBH-HGCLJGPKSA-N. The full InChI is InChI=1S/C12H24O2/c1-7(2)12-10(5)8(3)9(4)11(6-13)14-12/h7-13H,6H2,1-5H3/t8-,9-,10+,11+,12-/m0/s1.
What are the key properties of [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol?
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol has a molecular weight of 200.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol is sourced from PubChem (CID 59651572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).