trans-(1R,2S)-1,2-diethylcyclohexan-1-ol

C10H20O — CID 86308413

IUPACtrans-(1R,2S)-1,2-diethylcyclohexan-1-ol
SMILESCC[C@H]1CCCC[C@]1(O)CC
InChIInChI=1S/C10H20O/c1-3-9-7-5-6-8-10(9,11)4-2/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFHPIIUUMMWHNFC-VHSXEESVSA-N
MW156.27 g/mol
LogP2.73
Rot. Bonds2

About trans-(1R,2S)-1,2-diethylcyclohexan-1-ol

trans-(1R,2S)-1,2-diethylcyclohexan-1-ol (PubChem CID 86308413) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is trans-(1R,2S)-1,2-diethylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-1,2-diethylcyclohexan-1-ol
PubChem CID86308413
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nametrans-(1R,2S)-1,2-diethylcyclohexan-1-ol
SMILESCC[C@H]1CCCC[C@]1(O)CC
InChIInChI=1S/C10H20O/c1-3-9-7-5-6-8-10(9,11)4-2/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1
InChIKeyFHPIIUUMMWHNFC-VHSXEESVSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1,2-diethylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-1,2-diethylcyclohexan-1-ol (CID 86308413) is trans-(1R,2S)-1,2-diethylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-1,2-diethylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-1,2-diethylcyclohexan-1-ol is CC[C@H]1CCCC[C@]1(O)CC.
What is the InChIKey of trans-(1R,2S)-1,2-diethylcyclohexan-1-ol?
The InChIKey is FHPIIUUMMWHNFC-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O/c1-3-9-7-5-6-8-10(9,11)4-2/h9,11H,3-8H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1,2-diethylcyclohexan-1-ol?
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1,2-diethylcyclohexan-1-ol is sourced from PubChem (CID 86308413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).