(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

C15H31ClO — CID 129235244

IUPAC(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)(CC(C)(C)OC(C)(C)C)[C@@H](C)CCl
InChIInChI=1S/C15H31ClO/c1-9-15(8,12(2)10-16)11-14(6,7)17-13(3,4)5/h12H,9-11H2,1-8H3/t12-,15?/m0/s1
InChIKeyLJEKJQMBXZMPSW-SFVWDYPZSA-N
MW262.86 g/mol
LogP5.26
Rot. Bonds6

About (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane

(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (PubChem CID 129235244) has the molecular formula C15H31ClO and a molecular weight of 262.86 g/mol. Its IUPAC name is (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.

Molecular Properties

Compound Name(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
PubChem CID129235244
Molecular FormulaC15H31ClO
Molecular Weight262.86 g/mol
Exact Mass262.21
IUPAC Name(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
SMILESCCC(C)(CC(C)(C)OC(C)(C)C)[C@@H](C)CCl
InChIInChI=1S/C15H31ClO/c1-9-15(8,12(2)10-16)11-14(6,7)17-13(3,4)5/h12H,9-11H2,1-8H3/t12-,15?/m0/s1
InChIKeyLJEKJQMBXZMPSW-SFVWDYPZSA-N
XLogP5.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.86
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235344
1,1-dichloro-3-methyl-3-[(2-methylpropan-2-yl)oxy]butane
CID 141078640
1-chloro-3,5-dimethyl-5-[(2-methylpropan-2-yl)oxy]heptane
CID 129235543
5-(3,3-dimethylbutoxy)-3-ethyl-2,3,5-trimethyl-1-[2,3,3-trimethyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxyhexane
CID 123287031
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;2-methylpropane
CID 87070138
1-bromo-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235269
1-methoxy-2,2,3,3,5-pentamethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 118260029
1-(2-methylbutan-2-yloxy)ethanamine
CID 23371049
methanol;2-methyl-2-(2-methylbutan-2-yloxy)butane;propan-2-ol
CID 137497560
2-[1-butan-2-yloxy-1-[1,1-di(butan-2-yloxy)ethoxy]ethoxy]butane
CID 87588712
3-ethyl-2-hydroperoxy-3-methylpentane
CID 90139339
3-ethyl-3,4,6,7,8-pentamethyldecane
CID 123231235

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The IUPAC name of (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane (CID 129235244) is (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane.
What is the SMILES notation for (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The canonical SMILES for (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is CCC(C)(CC(C)(C)OC(C)(C)C)[C@@H](C)CCl.
What is the InChIKey of (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
The InChIKey is LJEKJQMBXZMPSW-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H31ClO/c1-9-15(8,12(2)10-16)11-14(6,7)17-13(3,4)5/h12H,9-11H2,1-8H3/t12-,15?/m0/s1.
What are the key properties of (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane?
(2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane has a molecular weight of 262.86 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-ethyl-2,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane is sourced from PubChem (CID 129235244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).