2-[(2S)-5-chloropentan-2-yl]oxyoxane

C10H19ClO2 — CID 10750818

IUPAC2-[(2S)-5-chloropentan-2-yl]oxyoxane
SMILESC[C@@H](CCCCl)OC1CCCCO1
InChIInChI=1S/C10H19ClO2/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyILVPGLQUMLJHIJ-RGURZIINSA-N
MW206.71 g/mol
LogP2.94
Rot. Bonds5

About 2-[(2S)-5-chloropentan-2-yl]oxyoxane

2-[(2S)-5-chloropentan-2-yl]oxyoxane (PubChem CID 10750818) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is 2-[(2S)-5-chloropentan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[(2S)-5-chloropentan-2-yl]oxyoxane
PubChem CID10750818
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name2-[(2S)-5-chloropentan-2-yl]oxyoxane
SMILESC[C@@H](CCCCl)OC1CCCCO1
InChIInChI=1S/C10H19ClO2/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10H,2-8H2,1H3/t9-,10?/m0/s1
InChIKeyILVPGLQUMLJHIJ-RGURZIINSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
(3S)-3-(oxan-2-yloxy)butan-1-ol
CID 15019404
tert-butyl-dimethyl-[5-(oxan-2-yloxy)hexoxy]silane
CID 101016623
2-butan-2-yloxyoxane
CID 559028
9-(oxan-2-yloxy)dec-2-yn-1-ol
CID 86095981
(E,4R)-8-(oxan-2-yloxy)non-2-en-4-ol
CID 25147334
(2R)-2-[(2S)-4-azidobutan-2-yl]oxyoxane
CID 98010095
2-[(E,2S,8R)-8-methyldec-6-en-2-yl]oxyoxane
CID 102392953
1,1-dideuterio-2-(oxan-2-yloxy)propan-1-ol
CID 169284168
(10R)-1,10-bis(oxan-2-yloxy)undecan-6-one
CID 71407763

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5-chloropentan-2-yl]oxyoxane?
The IUPAC name of 2-[(2S)-5-chloropentan-2-yl]oxyoxane (CID 10750818) is 2-[(2S)-5-chloropentan-2-yl]oxyoxane.
What is the SMILES notation for 2-[(2S)-5-chloropentan-2-yl]oxyoxane?
The canonical SMILES for 2-[(2S)-5-chloropentan-2-yl]oxyoxane is C[C@@H](CCCCl)OC1CCCCO1.
What is the InChIKey of 2-[(2S)-5-chloropentan-2-yl]oxyoxane?
The InChIKey is ILVPGLQUMLJHIJ-RGURZIINSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-9(5-4-7-11)13-10-6-2-3-8-12-10/h9-10H,2-8H2,1H3/t9-,10?/m0/s1.
What are the key properties of 2-[(2S)-5-chloropentan-2-yl]oxyoxane?
2-[(2S)-5-chloropentan-2-yl]oxyoxane has a molecular weight of 206.71 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5-chloropentan-2-yl]oxyoxane is sourced from PubChem (CID 10750818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).