(3R)-3-chloro-2-methylbutan-2-ol

C5H11ClO — CID 96563030

IUPAC(3R)-3-chloro-2-methylbutan-2-ol
SMILESC[C@@H](Cl)C(C)(C)O
InChIInChI=1S/C5H11ClO/c1-4(6)5(2,3)7/h4,7H,1-3H3/t4-/m1/s1
InChIKeyYYHQXKBKFKTDMP-SCSAIBSYSA-N
MW122.59 g/mol
LogP1.38
Rot. Bonds1

About (3R)-3-chloro-2-methylbutan-2-ol

(3R)-3-chloro-2-methylbutan-2-ol (PubChem CID 96563030) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is (3R)-3-chloro-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3R)-3-chloro-2-methylbutan-2-ol
PubChem CID96563030
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name(3R)-3-chloro-2-methylbutan-2-ol
SMILESC[C@@H](Cl)C(C)(C)O
InChIInChI=1S/C5H11ClO/c1-4(6)5(2,3)7/h4,7H,1-3H3/t4-/m1/s1
InChIKeyYYHQXKBKFKTDMP-SCSAIBSYSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 51.38
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 (3R)-3-chloro-2-methylbutan-2-ol?
The IUPAC name of (3R)-3-chloro-2-methylbutan-2-ol (CID 96563030) is (3R)-3-chloro-2-methylbutan-2-ol.
What is the SMILES notation for (3R)-3-chloro-2-methylbutan-2-ol?
The canonical SMILES for (3R)-3-chloro-2-methylbutan-2-ol is C[C@@H](Cl)C(C)(C)O.
What is the InChIKey of (3R)-3-chloro-2-methylbutan-2-ol?
The InChIKey is YYHQXKBKFKTDMP-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-4(6)5(2,3)7/h4,7H,1-3H3/t4-/m1/s1.
What are the key properties of (3R)-3-chloro-2-methylbutan-2-ol?
(3R)-3-chloro-2-methylbutan-2-ol has a molecular weight of 122.59 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-chloro-2-methylbutan-2-ol is sourced from PubChem (CID 96563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).