(3R)-5-chloro-3-methylpentan-1-ol

C6H13ClO — CID 13192445

IUPAC(3R)-5-chloro-3-methylpentan-1-ol
SMILESC[C@H](CCO)CCCl
InChIInChI=1S/C6H13ClO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyRSGUDGMMSKFGLF-LURJTMIESA-N
MW136.62 g/mol
LogP1.63
Rot. Bonds4

About (3R)-5-chloro-3-methylpentan-1-ol

(3R)-5-chloro-3-methylpentan-1-ol (PubChem CID 13192445) has the molecular formula C6H13ClO and a molecular weight of 136.62 g/mol. Its IUPAC name is (3R)-5-chloro-3-methylpentan-1-ol.

Molecular Properties

Compound Name(3R)-5-chloro-3-methylpentan-1-ol
PubChem CID13192445
Molecular FormulaC6H13ClO
Molecular Weight136.62 g/mol
Exact Mass136.07
IUPAC Name(3R)-5-chloro-3-methylpentan-1-ol
SMILESC[C@H](CCO)CCCl
InChIInChI=1S/C6H13ClO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1
InChIKeyRSGUDGMMSKFGLF-LURJTMIESA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 (3R)-5-chloro-3-methylpentan-1-ol?
The IUPAC name of (3R)-5-chloro-3-methylpentan-1-ol (CID 13192445) is (3R)-5-chloro-3-methylpentan-1-ol.
What is the SMILES notation for (3R)-5-chloro-3-methylpentan-1-ol?
The canonical SMILES for (3R)-5-chloro-3-methylpentan-1-ol is C[C@H](CCO)CCCl.
What is the InChIKey of (3R)-5-chloro-3-methylpentan-1-ol?
The InChIKey is RSGUDGMMSKFGLF-LURJTMIESA-N. The full InChI is InChI=1S/C6H13ClO/c1-6(2-4-7)3-5-8/h6,8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-5-chloro-3-methylpentan-1-ol?
(3R)-5-chloro-3-methylpentan-1-ol has a molecular weight of 136.62 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-chloro-3-methylpentan-1-ol is sourced from PubChem (CID 13192445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).