2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol

C14H28O2 — CID 141258734

IUPAC2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1CCOCCO
InChIInChI=1S/C14H28O2/c1-11(2)14-5-4-12(3)10-13(14)6-8-16-9-7-15/h11-15H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyQUUYAWKIZCMJSK-BFHYXJOUSA-N
MW228.38 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol

2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol (PubChem CID 141258734) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
PubChem CID141258734
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol
SMILESCC(C)[C@H]1CC[C@H](C)C[C@H]1CCOCCO
InChIInChI=1S/C14H28O2/c1-11(2)14-5-4-12(3)10-13(14)6-8-16-9-7-15/h11-15H,4-10H2,1-3H3/t12-,13+,14+/m0/s1
InChIKeyQUUYAWKIZCMJSK-BFHYXJOUSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 14166067
2-(2-hydroxyethoxy)ethyl 5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 21426272
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-(bromomethyl)-4-methyl-1-propan-2-ylcyclohexane
CID 66471064
5-(5-methyl-2-propan-2-ylcyclohexyl)pent-2-en-1-ol
CID 174145387
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-[2-(5-methyl-2-propan-2-ylcyclohexyl)ethylamino]-2-oxoacetic acid
CID 118049966
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl 2-aminoacetate
CID 153428354
2-(2-hydroxyethoxy)ethyl 3-(5-methyl-2-propan-2-ylcyclohexyl)prop-2-enoate;1-methyl-4-propan-2-ylcyclohexane
CID 69416859
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol?
The IUPAC name of 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol (CID 141258734) is 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol is CC(C)[C@H]1CC[C@H](C)C[C@H]1CCOCCO.
What is the InChIKey of 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol?
The InChIKey is QUUYAWKIZCMJSK-BFHYXJOUSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)14-5-4-12(3)10-13(14)6-8-16-9-7-15/h11-15H,4-10H2,1-3H3/t12-,13+,14+/m0/s1.
What are the key properties of 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol?
2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol has a molecular weight of 228.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ethoxy]ethanol is sourced from PubChem (CID 141258734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).