cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol

C10H20O2 — CID 59686945

IUPACcis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
SMILESCC(C)(C)C1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H20O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m1/s1
InChIKeyYQUNEXSJGIVACX-ASODMVGOSA-N
MW172.27 g/mol
LogP1.55
Rot. Bonds

About cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol

cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol (PubChem CID 59686945) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
PubChem CID59686945
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namecis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
SMILESCC(C)(C)C1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C10H20O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m1/s1
InChIKeyYQUNEXSJGIVACX-ASODMVGOSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
CID 130452306
1,3-ditert-butylcyclopentane;ethane
CID 161179598
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
CID 12632631
4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
CID 79423962
(1R,2R,4R)-4-(2-trimethylsilyloxypropan-2-yl)cyclohexane-1,2-diol
CID 164675419
(1S,2S,4S)-4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 134851206
4-tert-butyl-2-phenoxycyclohexan-1-ol
CID 13083812
2-but-2-enyl-4-tert-butylcyclohexan-1-ol
CID 76919133
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 63700984

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol (CID 59686945) is cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol is CC(C)(C)C1CC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol?
The InChIKey is YQUNEXSJGIVACX-ASODMVGOSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h7-9,11-12H,4-6H2,1-3H3/t7?,8-,9+/m1/s1.
What are the key properties of cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol?
cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol has a molecular weight of 172.27 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol is sourced from PubChem (CID 59686945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).