(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane

C15H27ClO — CID 15605027

IUPAC(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane
SMILESCC(C)C[C@H]1C[C@@H](Cl)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H27ClO/c1-11(2)8-14-9-13(16)10-15(17-14)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeySXTDSHYBVXTKJG-ILXRZTDVSA-N
MW258.83 g/mol
LogP4.77
Rot. Bonds3

About (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane

(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane (PubChem CID 15605027) has the molecular formula C15H27ClO and a molecular weight of 258.83 g/mol. Its IUPAC name is (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane.

Molecular Properties

Compound Name(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane
PubChem CID15605027
Molecular FormulaC15H27ClO
Molecular Weight258.83 g/mol
Exact Mass258.18
IUPAC Name(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane
SMILESCC(C)C[C@H]1C[C@@H](Cl)C[C@@H](C2CCCCC2)O1
InChIInChI=1S/C15H27ClO/c1-11(2)8-14-9-13(16)10-15(17-14)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-,14+,15+/m1/s1
InChIKeySXTDSHYBVXTKJG-ILXRZTDVSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.83
LogP ≤ 54.77
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 (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane?
The IUPAC name of (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane (CID 15605027) is (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane.
What is the SMILES notation for (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane?
The canonical SMILES for (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane is CC(C)C[C@H]1C[C@@H](Cl)C[C@@H](C2CCCCC2)O1.
What is the InChIKey of (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane?
The InChIKey is SXTDSHYBVXTKJG-ILXRZTDVSA-N. The full InChI is InChI=1S/C15H27ClO/c1-11(2)8-14-9-13(16)10-15(17-14)12-6-4-3-5-7-12/h11-15H,3-10H2,1-2H3/t13-,14+,15+/m1/s1.
What are the key properties of (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane?
(2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane has a molecular weight of 258.83 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-4-chloro-2-cyclohexyl-6-(2-methylpropyl)oxane is sourced from PubChem (CID 15605027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).