(2R)-2-chloro-3,3-dimethylbutan-1-ol

C6H13ClO — CID 87850268

IUPAC(2R)-2-chloro-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](Cl)CO
InChIInChI=1S/C6H13ClO/c1-6(2,3)5(7)4-8/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyLELKLXCTOOXGLO-YFKPBYRVSA-N
MW136.62 g/mol
LogP1.63
Rot. Bonds1

About (2R)-2-chloro-3,3-dimethylbutan-1-ol

(2R)-2-chloro-3,3-dimethylbutan-1-ol (PubChem CID 87850268) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is (2R)-2-chloro-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name(2R)-2-chloro-3,3-dimethylbutan-1-ol
PubChem CID87850268
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name(2R)-2-chloro-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)[C@@H](Cl)CO
InChIInChI=1S/C6H13ClO/c1-6(2,3)5(7)4-8/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyLELKLXCTOOXGLO-YFKPBYRVSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3,3-dimethylbutan-1-ol?
The IUPAC name of (2R)-2-chloro-3,3-dimethylbutan-1-ol (CID 87850268) is (2R)-2-chloro-3,3-dimethylbutan-1-ol.
What is the SMILES notation for (2R)-2-chloro-3,3-dimethylbutan-1-ol?
The canonical SMILES for (2R)-2-chloro-3,3-dimethylbutan-1-ol is CC(C)(C)[C@@H](Cl)CO.
What is the InChIKey of (2R)-2-chloro-3,3-dimethylbutan-1-ol?
The InChIKey is LELKLXCTOOXGLO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13ClO/c1-6(2,3)5(7)4-8/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of (2R)-2-chloro-3,3-dimethylbutan-1-ol?
(2R)-2-chloro-3,3-dimethylbutan-1-ol has a molecular weight of 136.62 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 87850268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).