trans-(1R,2S)-2-tert-butylcyclohexan-1-ol

C10H20O — CID 6995537

IUPACtrans-(1R,2S)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDLTWBMHADAJAAZ-RKDXNWHRSA-N
MW156.27 g/mol
LogP2.58
Rot. Bonds

About trans-(1R,2S)-2-tert-butylcyclohexan-1-ol

trans-(1R,2S)-2-tert-butylcyclohexan-1-ol (PubChem CID 6995537) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is trans-(1R,2S)-2-tert-butylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-tert-butylcyclohexan-1-ol
PubChem CID6995537
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Nametrans-(1R,2S)-2-tert-butylcyclohexan-1-ol
SMILESCC(C)(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyDLTWBMHADAJAAZ-RKDXNWHRSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-tert-butylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-tert-butylcyclohexan-1-ol (CID 6995537) is trans-(1R,2S)-2-tert-butylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-tert-butylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-tert-butylcyclohexan-1-ol is CC(C)(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-tert-butylcyclohexan-1-ol?
The InChIKey is DLTWBMHADAJAAZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20O/c1-10(2,3)8-6-4-5-7-9(8)11/h8-9,11H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2S)-2-tert-butylcyclohexan-1-ol?
trans-(1R,2S)-2-tert-butylcyclohexan-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-tert-butylcyclohexan-1-ol is sourced from PubChem (CID 6995537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).