(2,2-dimethylcyclopropyl)methanol

C6H12O — CID 534235

IUPAC(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1CO
InChIInChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3
InChIKeyHCRFKZNNRFJHKW-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.02
Rot. Bonds1

About (2,2-dimethylcyclopropyl)methanol

(2,2-dimethylcyclopropyl)methanol (PubChem CID 534235) has the molecular formula C6H12O and a molecular weight of 100.16 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)methanol
PubChem CID534235
Molecular FormulaC6H12O
Molecular Weight100.16 g/mol
Exact Mass100.09
IUPAC Name(2,2-dimethylcyclopropyl)methanol
SMILESCC1(C)CC1CO
InChIInChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3
InChIKeyHCRFKZNNRFJHKW-UHFFFAOYSA-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 (2,2-dimethylcyclopropyl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)methanol (CID 534235) is (2,2-dimethylcyclopropyl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)methanol is CC1(C)CC1CO.
What is the InChIKey of (2,2-dimethylcyclopropyl)methanol?
The InChIKey is HCRFKZNNRFJHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O/c1-6(2)3-5(6)4-7/h5,7H,3-4H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)methanol?
(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 (2,2-dimethylcyclopropyl)methanol is sourced from PubChem (CID 534235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).