[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol

C9H18O — CID 89425175

IUPAC[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
SMILESCC(C)(C)[C@]1(C)CC1CO
InChIInChI=1S/C9H18O/c1-8(2,3)9(4)5-7(9)6-10/h7,10H,5-6H2,1-4H3/t7?,9-/m1/s1
InChIKeyURNNDPAEGIFWDU-NHSZFOGYSA-N
MW142.24 g/mol
LogP2.05
Rot. Bonds1

About [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol

[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol (PubChem CID 89425175) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol.

Molecular Properties

Compound Name[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
PubChem CID89425175
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
SMILESCC(C)(C)[C@]1(C)CC1CO
InChIInChI=1S/C9H18O/c1-8(2,3)9(4)5-7(9)6-10/h7,10H,5-6H2,1-4H3/t7?,9-/m1/s1
InChIKeyURNNDPAEGIFWDU-NHSZFOGYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol?
The IUPAC name of [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol (CID 89425175) is [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol.
What is the SMILES notation for [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol?
The canonical SMILES for [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol is CC(C)(C)[C@]1(C)CC1CO.
What is the InChIKey of [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol?
The InChIKey is URNNDPAEGIFWDU-NHSZFOGYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2,3)9(4)5-7(9)6-10/h7,10H,5-6H2,1-4H3/t7?,9-/m1/s1.
What are the key properties of [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol?
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol has a molecular weight of 142.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-tert-butyl-2-methylcyclopropyl]methanol is sourced from PubChem (CID 89425175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).