trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol

C9H18O — CID 171582108

IUPACtrans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@]1(C)O
InChIInChI=1S/C9H18O/c1-8(2,3)7-5-6-9(7,4)10/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyQTXSEGYXRQVXMS-VXNVDRBHSA-N
MW142.24 g/mol
LogP2.19
Rot. Bonds

About trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol

trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol (PubChem CID 171582108) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
PubChem CID171582108
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Nametrans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol
SMILESCC(C)(C)[C@H]1CC[C@@]1(C)O
InChIInChI=1S/C9H18O/c1-8(2,3)7-5-6-9(7,4)10/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1
InChIKeyQTXSEGYXRQVXMS-VXNVDRBHSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
(2R)-1-methylcyclobutane-1,2-diol
CID 130694777
2-tert-butyl-1,1,5,5-tetramethylcyclohexane
CID 91142167
4-tert-butyl-1-ethylcyclohexan-1-ol
CID 12709682
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
4-tert-butyl-3-methylpyrrolidin-3-ol
CID 115012307
2-(2-hydroxy-2-methylpropyl)-1-methylcyclopropan-1-ol
CID 15327064
cis-(1S,2S)-2-tert-butyl-1-(hydroxymethyl)cyclopentan-1-ol
CID 171582081
1,2-ditert-butyl-4-methylcyclohexan-1-ol
CID 147410667
cis-(1S,2R)-2-(2-hydroxypropan-2-yl)-1-methylcyclobutane-1-carbaldehyde
CID 15119245
7-tert-butyl-2-azaspiro[3.3]heptane
CID 171431710
4-tert-butyl-1-methyl-2-prop-2-enylcyclohexan-1-ol;propane
CID 144805649

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol?
The IUPAC name of trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol (CID 171582108) is trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol is CC(C)(C)[C@H]1CC[C@@]1(C)O.
What is the InChIKey of trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol?
The InChIKey is QTXSEGYXRQVXMS-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2,3)7-5-6-9(7,4)10/h7,10H,5-6H2,1-4H3/t7-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol?
trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-tert-butyl-1-methylcyclobutan-1-ol is sourced from PubChem (CID 171582108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).