(4R,6S)-4-chloro-2,2,6-trimethyloxane

C8H15ClO — CID 131845462

IUPAC(4R,6S)-4-chloro-2,2,6-trimethyloxane
SMILESC[C@H]1C[C@@H](Cl)CC(C)(C)O1
InChIInChI=1S/C8H15ClO/c1-6-4-7(9)5-8(2,3)10-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZUEQPJUJMAEIJZ-NKWVEPMBSA-N
MW162.66 g/mol
LogP2.57
Rot. Bonds

About (4R,6S)-4-chloro-2,2,6-trimethyloxane

(4R,6S)-4-chloro-2,2,6-trimethyloxane (PubChem CID 131845462) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (4R,6S)-4-chloro-2,2,6-trimethyloxane.

Molecular Properties

Compound Name(4R,6S)-4-chloro-2,2,6-trimethyloxane
PubChem CID131845462
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(4R,6S)-4-chloro-2,2,6-trimethyloxane
SMILESC[C@H]1C[C@@H](Cl)CC(C)(C)O1
InChIInChI=1S/C8H15ClO/c1-6-4-7(9)5-8(2,3)10-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKeyZUEQPJUJMAEIJZ-NKWVEPMBSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.57
H-Bond Donors ≤ 50
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 (4R,6S)-4-chloro-2,2,6-trimethyloxane?
The IUPAC name of (4R,6S)-4-chloro-2,2,6-trimethyloxane (CID 131845462) is (4R,6S)-4-chloro-2,2,6-trimethyloxane.
What is the SMILES notation for (4R,6S)-4-chloro-2,2,6-trimethyloxane?
The canonical SMILES for (4R,6S)-4-chloro-2,2,6-trimethyloxane is C[C@H]1C[C@@H](Cl)CC(C)(C)O1.
What is the InChIKey of (4R,6S)-4-chloro-2,2,6-trimethyloxane?
The InChIKey is ZUEQPJUJMAEIJZ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15ClO/c1-6-4-7(9)5-8(2,3)10-6/h6-7H,4-5H2,1-3H3/t6-,7+/m0/s1.
What are the key properties of (4R,6S)-4-chloro-2,2,6-trimethyloxane?
(4R,6S)-4-chloro-2,2,6-trimethyloxane has a molecular weight of 162.66 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-chloro-2,2,6-trimethyloxane is sourced from PubChem (CID 131845462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).