1,2-dimethylcyclopropan-1-ol

C5H10O — CID 14453682

IUPAC1,2-dimethylcyclopropan-1-ol
SMILESCC1CC1(C)O
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3
InChIKeyLLRXHYJWGRSYIZ-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.78
Rot. Bonds

About 1,2-dimethylcyclopropan-1-ol

1,2-dimethylcyclopropan-1-ol (PubChem CID 14453682) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 1,2-dimethylcyclopropan-1-ol.

Molecular Properties

Compound Name1,2-dimethylcyclopropan-1-ol
PubChem CID14453682
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name1,2-dimethylcyclopropan-1-ol
SMILESCC1CC1(C)O
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3
InChIKeyLLRXHYJWGRSYIZ-UHFFFAOYSA-N
XLogP0.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopropan-1-ol?
The IUPAC name of 1,2-dimethylcyclopropan-1-ol (CID 14453682) is 1,2-dimethylcyclopropan-1-ol.
What is the SMILES notation for 1,2-dimethylcyclopropan-1-ol?
The canonical SMILES for 1,2-dimethylcyclopropan-1-ol is CC1CC1(C)O.
What is the InChIKey of 1,2-dimethylcyclopropan-1-ol?
The InChIKey is LLRXHYJWGRSYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3.
What are the key properties of 1,2-dimethylcyclopropan-1-ol?
1,2-dimethylcyclopropan-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopropan-1-ol is sourced from PubChem (CID 14453682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).