(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol

C11H23ClO2 — CID 129235447

IUPAC(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol
SMILESCC(CC(C)[C@@H](O)CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO2/c1-8(10(13)7-12)6-9(2)14-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8?,9?,10-/m0/s1
InChIKeyORHQWPKGHNMPDH-RTBKNWGFSA-N
MW222.76 g/mol
LogP2.82
Rot. Bonds5

About (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol

(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol (PubChem CID 129235447) has the molecular formula C11H23ClO2 and a molecular weight of 222.76 g/mol. Its IUPAC name is (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol
PubChem CID129235447
Molecular FormulaC11H23ClO2
Molecular Weight222.76 g/mol
Exact Mass222.14
IUPAC Name(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol
SMILESCC(CC(C)[C@@H](O)CCl)OC(C)(C)C
InChIInChI=1S/C11H23ClO2/c1-8(10(13)7-12)6-9(2)14-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8?,9?,10-/m0/s1
InChIKeyORHQWPKGHNMPDH-RTBKNWGFSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
1-chloro-3-(2-methoxypropan-2-yl)-4-methylhexan-2-ol
CID 123933686
2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 159070558
(5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 169306082
3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 87926743
N-tert-butyl-2-methyl-4-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 170276142
2-methyl-2-propan-2-yloxypropane;propan-2-ol
CID 88729747
tert-butyl N-(1-chloro-2-hydroxy-5-methylhexan-3-yl)carbamate
CID 14180814
(2R)-1-chloro-2-[(2R)-1-chloropropan-2-yl]oxypropane
CID 6931072
bis[(2-methylpropan-2-yl)oxy]methanol
CID 121276629
3,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]hexane
CID 91085775
(2R,3S)-3-amino-1-chlorobutan-2-ol
CID 154700575

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The IUPAC name of (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol (CID 129235447) is (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol is CC(CC(C)[C@@H](O)CCl)OC(C)(C)C.
What is the InChIKey of (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The InChIKey is ORHQWPKGHNMPDH-RTBKNWGFSA-N. The full InChI is InChI=1S/C11H23ClO2/c1-8(10(13)7-12)6-9(2)14-11(3,4)5/h8-10,13H,6-7H2,1-5H3/t8?,9?,10-/m0/s1.
What are the key properties of (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
(2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol has a molecular weight of 222.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-methyl-5-[(2-methylpropan-2-yl)oxy]hexan-2-ol is sourced from PubChem (CID 129235447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).