(2S)-1-chloro-2-methylpentan-2-ol

C6H13ClO — CID 13204310

IUPAC(2S)-1-chloro-2-methylpentan-2-ol
SMILESCCC[C@](C)(O)CCl
InChIInChI=1S/C6H13ClO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeySBMWYHAGQYEVTI-LURJTMIESA-N
MW136.62 g/mol
LogP1.78
Rot. Bonds3

About (2S)-1-chloro-2-methylpentan-2-ol

(2S)-1-chloro-2-methylpentan-2-ol (PubChem CID 13204310) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is (2S)-1-chloro-2-methylpentan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-2-methylpentan-2-ol
PubChem CID13204310
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name(2S)-1-chloro-2-methylpentan-2-ol
SMILESCCC[C@](C)(O)CCl
InChIInChI=1S/C6H13ClO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeySBMWYHAGQYEVTI-LURJTMIESA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.62
LogP ≤ 51.78
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 (2S)-1-chloro-2-methylpentan-2-ol?
The IUPAC name of (2S)-1-chloro-2-methylpentan-2-ol (CID 13204310) is (2S)-1-chloro-2-methylpentan-2-ol.
What is the SMILES notation for (2S)-1-chloro-2-methylpentan-2-ol?
The canonical SMILES for (2S)-1-chloro-2-methylpentan-2-ol is CCC[C@](C)(O)CCl.
What is the InChIKey of (2S)-1-chloro-2-methylpentan-2-ol?
The InChIKey is SBMWYHAGQYEVTI-LURJTMIESA-N. The full InChI is InChI=1S/C6H13ClO/c1-3-4-6(2,8)5-7/h8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-chloro-2-methylpentan-2-ol?
(2S)-1-chloro-2-methylpentan-2-ol has a molecular weight of 136.62 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-2-methylpentan-2-ol is sourced from PubChem (CID 13204310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).