(2R,4S)-4-ethyloctan-2-ol

C10H22O — CID 7015159

IUPAC(2R,4S)-4-ethyloctan-2-ol
SMILESCCCC[C@H](CC)C[C@@H](C)O
InChIInChI=1S/C10H22O/c1-4-6-7-10(5-2)8-9(3)11/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyGVKBTEISGUWZEJ-ZJUUUORDSA-N
MW158.28 g/mol
LogP2.97
Rot. Bonds6

About (2R,4S)-4-ethyloctan-2-ol

(2R,4S)-4-ethyloctan-2-ol (PubChem CID 7015159) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (2R,4S)-4-ethyloctan-2-ol.

Molecular Properties

Compound Name(2R,4S)-4-ethyloctan-2-ol
PubChem CID7015159
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(2R,4S)-4-ethyloctan-2-ol
SMILESCCCC[C@H](CC)C[C@@H](C)O
InChIInChI=1S/C10H22O/c1-4-6-7-10(5-2)8-9(3)11/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1
InChIKeyGVKBTEISGUWZEJ-ZJUUUORDSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,4S)-4-ethyloctan-2-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

5-ethylnonane-2,3-diol
CID 87935287
6-ethyl-2,3-dimethyldecan-4-ol
CID 114981252
(5S)-3,5-diethylnonane;methane
CID 159387669
5,9-diethyl-7-(2-methylpropyl)tridecane
CID 173141748
6-ethyl-4-methyldecane
CID 22224210
5,11-diethyl-8,8-dimethylpentadecane-7,9-diol
CID 140569222
3-(2-ethylhexoxy)hexane-2,5-diol
CID 123693494
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070
5,11-diethyl-7-methylpentadecane
CID 174871265
6-ethyldecane-1,4-diol
CID 106677709
5-ethyl-3-hydroxynonan-2-one
CID 174582853
4-ethyl-2-propan-2-yloctan-1-ol
CID 66060699

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethyloctan-2-ol?
The IUPAC name of (2R,4S)-4-ethyloctan-2-ol (CID 7015159) is (2R,4S)-4-ethyloctan-2-ol.
What is the SMILES notation for (2R,4S)-4-ethyloctan-2-ol?
The canonical SMILES for (2R,4S)-4-ethyloctan-2-ol is CCCC[C@H](CC)C[C@@H](C)O.
What is the InChIKey of (2R,4S)-4-ethyloctan-2-ol?
The InChIKey is GVKBTEISGUWZEJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H22O/c1-4-6-7-10(5-2)8-9(3)11/h9-11H,4-8H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2R,4S)-4-ethyloctan-2-ol?
(2R,4S)-4-ethyloctan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-ethyloctan-2-ol is sourced from PubChem (CID 7015159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).