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

C10H20O2 — CID 163662825

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

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

(2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol (PubChem CID 163662825) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
PubChem CID163662825
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol
SMILESCC[C@H]1O[C@H](C)[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C10H20O2/c1-5-9-7(3)10(11)6(2)8(4)12-9/h6-11H,5H2,1-4H3/t6-,7-,8-,9-,10+/m1/s1
InChIKeyNMFFUDWZJONLMA-IGORNWKESA-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,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol 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

7-Ethyl-2-methyl-4-undecanol
CID 97948
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
3,7-Dimethyl-7-methoxyoctan-2-ol
CID 162053
Tetrahydro-4-methyl-2-(2-methylpropyl)-2H-pyran-4-ol
CID 3017432
2-(1-Hydroxyethyl)cyclohexanol
CID 141103
2-Hydroxy-alpha-propylcyclohexanemethanol
CID 97962
1,6-Octanediol, 3,7-dimethyl-
CID 103732
2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-
CID 44464839
2-Isobutyl-4-methyltetrahydropyran-4-ol, (2R,4R)-
CID 12104426
6-Ethyl-3-decanol
CID 140584
3-Methyl-2-octanol
CID 542298
Cimepanol
CID 65765

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol (CID 163662825) is (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol is CC[C@H]1O[C@H](C)[C@@H](C)[C@H](O)[C@@H]1C.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol?
The InChIKey is NMFFUDWZJONLMA-IGORNWKESA-N. The full InChI is InChI=1S/C10H20O2/c1-5-9-7(3)10(11)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,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol?
(2R,3S,4S,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-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,5S,6R)-2-ethyl-3,5,6-trimethyloxan-4-ol is sourced from PubChem (CID 163662825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).