cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol

C16H30O5 — CID 10891991

IUPACcis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1OCCOCCO[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H30O5/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18/h13-18H,1-12H2/t13-,14+,15+,16-
InChIKeyQGLBRFRTQZUTCX-SYMSYNOKSA-N
MW302.41 g/mol
LogP1.64
Rot. Bonds8

About cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol

cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol (PubChem CID 10891991) has the molecular formula C16H30O5 and a molecular weight of 302.41 g/mol. Its IUPAC name is cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
PubChem CID10891991
Molecular FormulaC16H30O5
Molecular Weight302.41 g/mol
Exact Mass302.21
IUPAC Namecis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@@H]1OCCOCCO[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H30O5/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18/h13-18H,1-12H2/t13-,14+,15+,16-
InChIKeyQGLBRFRTQZUTCX-SYMSYNOKSA-N
XLogP1.64
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol with MolForge

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Related Compounds

Dicyclohexano-18-crown-6
CID 85955
Cyclohexanol, 2-ethoxy-
CID 98428
3-(Cyclohexyloxy)propane-1,2-diol
CID 231081
2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane, trans-syn-trans-
CID 7064768
trans-2-Ethoxy-cyclohexanol
CID 10920634
2-Isopropoxycyclohexan-1-ol
CID 102912
2,3,11,12-Dicyclohexano-1,4,7,10,13,16-hexaoxacyclooctadecane, cis-
CID 10959677
trans-2-Propoxy-cyclohexanol
CID 11789481
2-[(2-Fluorocyclohexyl)oxy]cyclohexan-1-ol
CID 122199286
(1R,2R)-2-[(1R,2R)-2-Fluorocyclohexyl]oxycyclohexan-1-ol
CID 137951879
rac-2-(((1R,2R)-2-methoxycyclohexyl)oxy)cyclohexan-1-ol
CID 155819709
(1RS&,2RS&)-2-{[(1RS,2RS)-2-fluorocyclohexyl]oxy}cyclohexan-1-ol
CID 171921051

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol (CID 10891991) is cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol is O[C@@H]1CCCC[C@@H]1OCCOCCO[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol?
The InChIKey is QGLBRFRTQZUTCX-SYMSYNOKSA-N. The full InChI is InChI=1S/C16H30O5/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18/h13-18H,1-12H2/t13-,14+,15+,16-.
What are the key properties of cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol?
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol has a molecular weight of 302.41 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol is sourced from PubChem (CID 10891991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).