(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol

C10H20O2 — CID 131085661

IUPAC(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
SMILESCC(C)[C@H]1O[C@H](O)[C@H](C)C[C@H]1C
InChIInChI=1S/C10H20O2/c1-6(2)9-7(3)5-8(4)10(11)12-9/h6-11H,5H2,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKeyOXPWIRSRPPVABG-KYXWUPHJSA-N
MW172.27 g/mol
LogP2.02
Rot. Bonds1

About (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol

(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol (PubChem CID 131085661) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol.

Molecular Properties

Compound Name(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
PubChem CID131085661
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol
SMILESCC(C)[C@H]1O[C@H](O)[C@H](C)C[C@H]1C
InChIInChI=1S/C10H20O2/c1-6(2)9-7(3)5-8(4)10(11)12-9/h6-11H,5H2,1-4H3/t7-,8-,9-,10+/m1/s1
InChIKeyOXPWIRSRPPVABG-KYXWUPHJSA-N
XLogP2.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

4-methyl-5-propan-2-yloxolan-2-ol
CID 85393181
(3R,5R,6S)-6-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-3,5-dimethyloxan-2-ol
CID 11823718
(3R,6S)-3,5,6-trimethyloxan-2-ol
CID 155725395
[(4R,5S)-4-methyl-5-propan-2-yloxolan-2-yl]-(oxiran-2-yl)methanol
CID 88887587
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
5-methoxy-2-methyl-6-propan-2-yloxane-3,4-diol
CID 70847183
ethene;3-methyl-6-propan-2-yloxan-2-ol
CID 143052735
3-methyl-2,6-di(propan-2-yl)oxane
CID 144905870
(2S,3R,5S)-2,5-di(propan-2-yl)oxolan-3-ol
CID 130438261
5-but-3-en-2-yl-4-methyloxolan-2-ol
CID 130150445
(2S,3S)-4-amino-6-methyl-2-propan-2-yloxan-3-ol
CID 89225706
(3S)-3-amino-6-(hydroxymethyl)-5-propan-2-yloxan-2-ol;(3S)-6-(hydroxymethyl)-3-methyl-5-propan-2-yloxan-2-ol
CID 172578941

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol?
The IUPAC name of (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol (CID 131085661) is (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol.
What is the SMILES notation for (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol?
The canonical SMILES for (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol is CC(C)[C@H]1O[C@H](O)[C@H](C)C[C@H]1C.
What is the InChIKey of (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol?
The InChIKey is OXPWIRSRPPVABG-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H20O2/c1-6(2)9-7(3)5-8(4)10(11)12-9/h6-11H,5H2,1-4H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol?
(2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6R)-3,5-dimethyl-6-propan-2-yloxan-2-ol is sourced from PubChem (CID 131085661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).