(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol

C11H22O3 — CID 101050085

IUPAC(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)[C@@H]1O[C@H](O)[C@H](C)[C@H](C(C)C)O1
InChIInChI=1S/C11H22O3/c1-6(2)9-8(5)10(12)14-11(13-9)7(3)4/h6-12H,1-5H3/t8-,9+,10+,11+/m1/s1
InChIKeyWAKTVRVLZVZOPV-RCWTZXSCSA-N
MW202.29 g/mol
LogP1.99
Rot. Bonds2

About (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol

(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (PubChem CID 101050085) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
PubChem CID101050085
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)[C@@H]1O[C@H](O)[C@H](C)[C@H](C(C)C)O1
InChIInChI=1S/C11H22O3/c1-6(2)9-8(5)10(12)14-11(13-9)7(3)4/h6-12H,1-5H3/t8-,9+,10+,11+/m1/s1
InChIKeyWAKTVRVLZVZOPV-RCWTZXSCSA-N
XLogP1.99
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol with MolForge

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Related Compounds

(2R,3S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yl)oxolane
CID 130441371
5-hydroxy-3-methyl-6-propan-2-yl-1,4-dioxan-2-one
CID 135159867
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
CID 131085661
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
(3S,4R,5R)-3-hydroxy-4-methyl-5-propan-2-yloxolan-2-one
CID 92979432
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
6-butan-2-yl-3,4,5-trimethyloxan-2-ol
CID 159707084
4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
(3R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxane
CID 122599287
2,4,6-tri(propan-2-yl)-5-sulfanylidene-1,3,5-dioxaphosphinan-5-ium
CID 12865666
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The IUPAC name of (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (CID 101050085) is (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.
What is the SMILES notation for (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The canonical SMILES for (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is CC(C)[C@@H]1O[C@H](O)[C@H](C)[C@H](C(C)C)O1.
What is the InChIKey of (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The InChIKey is WAKTVRVLZVZOPV-RCWTZXSCSA-N. The full InChI is InChI=1S/C11H22O3/c1-6(2)9-8(5)10(12)14-11(13-9)7(3)4/h6-12H,1-5H3/t8-,9+,10+,11+/m1/s1.
What are the key properties of (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
(2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol has a molecular weight of 202.29 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R,6S)-5-methyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is sourced from PubChem (CID 101050085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).