2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane

C36H84Cl2N2O2 — CID 162283234

IUPAC2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane
SMILESC1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC1OC(C)(Cl)NC1(C)C.C[C@H]1OC(C)(Cl)NC1(C)C
InChIInChI=1S/2C7H14ClNO.2C5H10.6C2H6/c2*1-5-6(2,3)9-7(4,8)10-5;2*1-2-4-5-3-1;6*1-2/h2*5,9H,1-4H3;2*1-5H2;6*1-2H3/t5-,7?;;;;;;;;;/m1........./s1
InChIKeyQVAOEAHGAITCIB-MAFBAEQSSA-N
MW647.99 g/mol
LogP13.43
Rot. Bonds

About 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane

2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane (PubChem CID 162283234) has the molecular formula C36H84Cl2N2O2 and a molecular weight of 647.99 g/mol. Its IUPAC name is 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane.

Molecular Properties

Compound Name2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane
PubChem CID162283234
Molecular FormulaC36H84Cl2N2O2
Molecular Weight647.99 g/mol
Exact Mass646.59
IUPAC Name2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane
SMILESC1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC1OC(C)(Cl)NC1(C)C.C[C@H]1OC(C)(Cl)NC1(C)C
InChIInChI=1S/2C7H14ClNO.2C5H10.6C2H6/c2*1-5-6(2,3)9-7(4,8)10-5;2*1-2-4-5-3-1;6*1-2/h2*5,9H,1-4H3;2*1-5H2;6*1-2H3/t5-,7?;;;;;;;;;/m1........./s1
InChIKeyQVAOEAHGAITCIB-MAFBAEQSSA-N
XLogP13.43
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.99
LogP ≤ 513.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclobutane;cyclopropane;ethane;methylcyclobutane
CID 159641047
cyclobutane;ethane;methylcyclobutane
CID 158121682
4,4,5-trimethyl-1,3-oxazolidine
CID 147195251
ethane;methylcyclohexane;methylcyclopentane
CID 159395989
CID 102491516
CID 102491516
2-cyclopropyl-2,3-dimethyloxirane
CID 173434239
cyclopropane;ethane
CID 167628168
cyclobutane;cyclohexane;ethane
CID 159889841
cyclopropane;ethane
CID 144519947
(2S,5S)-2,4,4,5-tetramethyl-1,3-oxazinane
CID 55286741
cyclopropane;ethane
CID 143364855
cyclopropane;ethane
CID 158116673

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane?
The IUPAC name of 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane (CID 162283234) is 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane.
What is the SMILES notation for 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane?
The canonical SMILES for 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane is C1CCCC1.C1CCCC1.CC.CC.CC.CC.CC.CC.CC1OC(C)(Cl)NC1(C)C.C[C@H]1OC(C)(Cl)NC1(C)C.
What is the InChIKey of 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane?
The InChIKey is QVAOEAHGAITCIB-MAFBAEQSSA-N. The full InChI is InChI=1S/2C7H14ClNO.2C5H10.6C2H6/c2*1-5-6(2,3)9-7(4,8)10-5;2*1-2-4-5-3-1;6*1-2/h2*5,9H,1-4H3;2*1-5H2;6*1-2H3/t5-,7?;;;;;;;;;/m1........./s1.
What are the key properties of 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane?
2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane has a molecular weight of 647.99 g/mol, XLogP of 13.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;(5R)-2-chloro-2,4,4,5-tetramethyl-1,3-oxazolidine;bis(cyclopentane);ethane is sourced from PubChem (CID 162283234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).