2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol

C12H24O — CID 67160832

IUPAC2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol
SMILESCCCCCC[C@@H]1C[C@H]1C(C)(C)O
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-10-9-11(10)12(2,3)13/h10-11,13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYICZFTZQHOUIOV-GHMZBOCLSA-N
MW184.32 g/mol
LogP3.36
Rot. Bonds6

About 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol

2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol (PubChem CID 67160832) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol
PubChem CID67160832
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol
SMILESCCCCCC[C@@H]1C[C@H]1C(C)(C)O
InChIInChI=1S/C12H24O/c1-4-5-6-7-8-10-9-11(10)12(2,3)13/h10-11,13H,4-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyYICZFTZQHOUIOV-GHMZBOCLSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol?
The IUPAC name of 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol (CID 67160832) is 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol.
What is the SMILES notation for 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol?
The canonical SMILES for 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol is CCCCCC[C@@H]1C[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol?
The InChIKey is YICZFTZQHOUIOV-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24O/c1-4-5-6-7-8-10-9-11(10)12(2,3)13/h10-11,13H,4-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol?
2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol has a molecular weight of 184.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-hexylcyclopropyl]propan-2-ol is sourced from PubChem (CID 67160832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).