2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol

C13H26O2 — CID 58242222

IUPAC2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
SMILESCC(C)CC[C@@H]1CCCC[C@@H]1OCCO
InChIInChI=1S/C13H26O2/c1-11(2)7-8-12-5-3-4-6-13(12)15-10-9-14/h11-14H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyKFGCEQQRLFFREK-STQMWFEESA-N
MW214.35 g/mol
LogP2.99
Rot. Bonds6

About 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol

2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol (PubChem CID 58242222) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
PubChem CID58242222
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol
SMILESCC(C)CC[C@@H]1CCCC[C@@H]1OCCO
InChIInChI=1S/C13H26O2/c1-11(2)7-8-12-5-3-4-6-13(12)15-10-9-14/h11-14H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeyKFGCEQQRLFFREK-STQMWFEESA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol 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

tert-butyl N-[(2S)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
CID 58242210
2-[2-[2-[2-(2-hydroxyethoxy)cyclohexyl]propyl]cyclohexyl]oxyethanol
CID 151509941
tert-butyl N-[(2R)-4-[(1S,2S)-2-ethenoxycyclohexyl]butan-2-yl]carbamate;tert-butyl N-[(2R)-4-[(1S,2S)-2-(2-hydroxyethoxy)cyclohexyl]butan-2-yl]carbamate
CID 159726518
2-[(1S,2R)-2-(2-hydroxyethoxy)cyclopentyl]oxyethanol
CID 155269084
2-[2-[2-[2-[2-(2-octylcyclohexyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 11189685
1-(3-methylbutyl)-2-(2-methylpropyl)cyclohexane
CID 59745597
2-[2-[2-(aminomethyl)cyclohexyl]oxyethoxy]ethanol
CID 106938416
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yloxy)ethanol
CID 12753759
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutan-1-ol
CID 64804429
2-[(3R)-4-amino-1-propan-2-ylpiperidin-3-yl]oxyethanol
CID 134177883
[2-(2-propan-2-yloxyethoxy)cyclohexyl]methanamine
CID 43428867

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol?
The IUPAC name of 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol (CID 58242222) is 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol?
The canonical SMILES for 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol is CC(C)CC[C@@H]1CCCC[C@@H]1OCCO.
What is the InChIKey of 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol?
The InChIKey is KFGCEQQRLFFREK-STQMWFEESA-N. The full InChI is InChI=1S/C13H26O2/c1-11(2)7-8-12-5-3-4-6-13(12)15-10-9-14/h11-14H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol?
2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol has a molecular weight of 214.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(3-methylbutyl)cyclohexyl]oxyethanol is sourced from PubChem (CID 58242222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).