trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one

C10H18O2 — CID 130993027

IUPACtrans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
SMILESC[C@H]1C(=O)CCC(C)(C)[C@]1(C)O
InChIInChI=1S/C10H18O2/c1-7-8(11)5-6-9(2,3)10(7,4)12/h7,12H,5-6H2,1-4H3/t7-,10+/m0/s1
InChIKeyMQQOSXUQPWEIOO-OIBJUYFYSA-N
MW170.25 g/mol
LogP1.76
Rot. Bonds

About trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one

trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one (PubChem CID 130993027) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
PubChem CID130993027
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nametrans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one
SMILESC[C@H]1C(=O)CCC(C)(C)[C@]1(C)O
InChIInChI=1S/C10H18O2/c1-7-8(11)5-6-9(2,3)10(7,4)12/h7,12H,5-6H2,1-4H3/t7-,10+/m0/s1
InChIKeyMQQOSXUQPWEIOO-OIBJUYFYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
trans-(2R,3R)-3-ethyl-3-hydroxy-2,4,4-trimethylcyclohexan-1-one
CID 167092961
2,3,3-trimethylcyclopentan-1-one
CID 12842713
3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
CID 138972637
(1R,4aR,7R,8aR)-7,8a-dihydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 164781652
(4aR,8aR)-8a-hydroxy-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 176717256
(1R,2S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undecan-3-one
CID 15973276
(1R,4aR,7R,8aR)-7-acetyl-8a-hydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
CID 164781575
CID 10485503
CID 10485503
trans-(2S,3S)-2,3-dichloro-4,4-dimethylcyclohexan-1-one
CID 131008363
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
ethanol;1,2,2,5,5,6-hexamethylcyclohexan-1-ol
CID 70452729

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one?
The IUPAC name of trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one (CID 130993027) is trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one.
What is the SMILES notation for trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one?
The canonical SMILES for trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one is C[C@H]1C(=O)CCC(C)(C)[C@]1(C)O.
What is the InChIKey of trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one?
The InChIKey is MQQOSXUQPWEIOO-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-8(11)5-6-9(2,3)10(7,4)12/h7,12H,5-6H2,1-4H3/t7-,10+/m0/s1.
What are the key properties of trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one?
trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-3-hydroxy-2,3,4,4-tetramethylcyclohexan-1-one is sourced from PubChem (CID 130993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).