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

C6H12O2 — CID 70611170

IUPAC[(1S)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C[C@@H]1C(O)O
InChIInChI=1S/C6H12O2/c1-6(2)3-4(6)5(7)8/h4-5,7-8H,3H2,1-2H3/t4-/m1/s1
InChIKeyCULVXXWOHIUDDN-SCSAIBSYSA-N
MW116.16 g/mol
LogP0.34
Rot. Bonds1

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

[(1S)-2,2-dimethylcyclopropyl]methanediol (PubChem CID 70611170) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclopropyl]methanediol.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclopropyl]methanediol
PubChem CID70611170
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name[(1S)-2,2-dimethylcyclopropyl]methanediol
SMILESCC1(C)C[C@@H]1C(O)O
InChIInChI=1S/C6H12O2/c1-6(2)3-4(6)5(7)8/h4-5,7-8H,3H2,1-2H3/t4-/m1/s1
InChIKeyCULVXXWOHIUDDN-SCSAIBSYSA-N
XLogP0.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclopropyl]methanediol?
The IUPAC name of [(1S)-2,2-dimethylcyclopropyl]methanediol (CID 70611170) is [(1S)-2,2-dimethylcyclopropyl]methanediol.
What is the SMILES notation for [(1S)-2,2-dimethylcyclopropyl]methanediol?
The canonical SMILES for [(1S)-2,2-dimethylcyclopropyl]methanediol is CC1(C)C[C@@H]1C(O)O.
What is the InChIKey of [(1S)-2,2-dimethylcyclopropyl]methanediol?
The InChIKey is CULVXXWOHIUDDN-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)3-4(6)5(7)8/h4-5,7-8H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclopropyl]methanediol?
[(1S)-2,2-dimethylcyclopropyl]methanediol has a molecular weight of 116.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclopropyl]methanediol is sourced from PubChem (CID 70611170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).