(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol

C10H20O2 — CID 163662834

IUPAC(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
SMILESCC[C@H]1O[C@H](C)[C@H](C)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H20O2/c1-5-9-10(11)7(3)6(2)8(4)12-9/h6-11H,5H2,1-4H3/t6-,7+,8-,9-,10+/m1/s1
InChIKeyPWCYVTAHPTUXCI-ZOZBQHSOSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds1

About (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol

(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol (PubChem CID 163662834) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
PubChem CID163662834
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol
SMILESCC[C@H]1O[C@H](C)[C@H](C)[C@H](C)[C@@H]1O
InChIInChI=1S/C10H20O2/c1-5-9-10(11)7(3)6(2)8(4)12-9/h6-11H,5H2,1-4H3/t6-,7+,8-,9-,10+/m1/s1
InChIKeyPWCYVTAHPTUXCI-ZOZBQHSOSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol with MolForge

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Related Compounds

(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769
(2R,4R,6R)-5-amino-2-ethyl-4,6-dimethyloxan-3-ol
CID 59870886
(2R,4S,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59996451
(2R,3S,4R,5S)-2-ethyl-5-methyloxolane-3,4-diol
CID 59834182
(2S,3S)-2-ethyl-3,4,5-trimethyloxolane
CID 59088156
(2S,3R,4S,5S,6R)-2-ethyl-3,4,5,6-tetramethyloxane
CID 59944457
(3S,4R,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91273556
(3S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 91456258
(3R,4S,6S)-2-ethyl-3,4,5,6-tetramethyloxane
CID 90919001
(3R,5S)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 142172464
(2S,4S,5R)-6-ethyl-2,5-dimethyloxane-3,4-diol
CID 59046301
(4S,5S)-6-ethyl-4-methyloxane-2,3,5-triol
CID 90429062

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol (CID 163662834) is (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol is CC[C@H]1O[C@H](C)[C@H](C)[C@H](C)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol?
The InChIKey is PWCYVTAHPTUXCI-ZOZBQHSOSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-10(11)7(3)6(2)8(4)12-9/h6-11H,5H2,1-4H3/t6-,7+,8-,9-,10+/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol?
(2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-ethyl-4,5,6-trimethyloxan-3-ol is sourced from PubChem (CID 163662834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).