(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol

C11H23ClO3 — CID 90767951

IUPAC(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol
SMILESCCOC(OCC)[C@H](CC)CC(O)CCl
InChIInChI=1S/C11H23ClO3/c1-4-9(7-10(13)8-12)11(14-5-2)15-6-3/h9-11,13H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyGKSDEXJDJXJQFU-YHMJZVADSA-N
MW238.75 g/mol
LogP2.40
Rot. Bonds9

About (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol

(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol (PubChem CID 90767951) has the molecular formula C11H23ClO3 and a molecular weight of 238.75 g/mol. Its IUPAC name is (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol.

Molecular Properties

Compound Name(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol
PubChem CID90767951
Molecular FormulaC11H23ClO3
Molecular Weight238.75 g/mol
Exact Mass238.13
IUPAC Name(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol
SMILESCCOC(OCC)[C@H](CC)CC(O)CCl
InChIInChI=1S/C11H23ClO3/c1-4-9(7-10(13)8-12)11(14-5-2)15-6-3/h9-11,13H,4-8H2,1-3H3/t9-,10?/m1/s1
InChIKeyGKSDEXJDJXJQFU-YHMJZVADSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol?
The IUPAC name of (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol (CID 90767951) is (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol.
What is the SMILES notation for (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol?
The canonical SMILES for (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol is CCOC(OCC)[C@H](CC)CC(O)CCl.
What is the InChIKey of (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol?
The InChIKey is GKSDEXJDJXJQFU-YHMJZVADSA-N. The full InChI is InChI=1S/C11H23ClO3/c1-4-9(7-10(13)8-12)11(14-5-2)15-6-3/h9-11,13H,4-8H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol?
(4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol has a molecular weight of 238.75 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-chloro-4-(diethoxymethyl)hexan-2-ol is sourced from PubChem (CID 90767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).