[(1S)-2,2-dimethylcyclopropyl]methanol

C6H12O — CID 11105320

IUPAC[(1S)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C[C@@H]1CO
InChIInChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyHCRFKZNNRFJHKW-RXMQYKEDSA-N
MW100.16 g/mol
LogP1.02
Rot. Bonds1

About [(1S)-2,2-dimethylcyclopropyl]methanol

[(1S)-2,2-dimethylcyclopropyl]methanol (PubChem CID 11105320) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclopropyl]methanol.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclopropyl]methanol
PubChem CID11105320
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name[(1S)-2,2-dimethylcyclopropyl]methanol
SMILESCC1(C)C[C@@H]1CO
InChIInChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyHCRFKZNNRFJHKW-RXMQYKEDSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclopropyl]methanol?
The IUPAC name of [(1S)-2,2-dimethylcyclopropyl]methanol (CID 11105320) is [(1S)-2,2-dimethylcyclopropyl]methanol.
What is the SMILES notation for [(1S)-2,2-dimethylcyclopropyl]methanol?
The canonical SMILES for [(1S)-2,2-dimethylcyclopropyl]methanol is CC1(C)C[C@@H]1CO.
What is the InChIKey of [(1S)-2,2-dimethylcyclopropyl]methanol?
The InChIKey is HCRFKZNNRFJHKW-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclopropyl]methanol?
[(1S)-2,2-dimethylcyclopropyl]methanol has a molecular weight of 100.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclopropyl]methanol is sourced from PubChem (CID 11105320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).