(2S)-2-(3-chloropropoxy)oxane

C8H15ClO2 — CID 36690971

IUPAC(2S)-2-(3-chloropropoxy)oxane
SMILESClCCCO[C@H]1CCCCO1
InChIInChI=1S/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2/t8-/m0/s1
InChIKeyQFXXARKSLAKVRL-QMMMGPOBSA-N
MW178.66 g/mol
LogP2.16
Rot. Bonds4

About (2S)-2-(3-chloropropoxy)oxane

(2S)-2-(3-chloropropoxy)oxane (PubChem CID 36690971) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is (2S)-2-(3-chloropropoxy)oxane.

Molecular Properties

Compound Name(2S)-2-(3-chloropropoxy)oxane
PubChem CID36690971
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name(2S)-2-(3-chloropropoxy)oxane
SMILESClCCCO[C@H]1CCCCO1
InChIInChI=1S/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2/t8-/m0/s1
InChIKeyQFXXARKSLAKVRL-QMMMGPOBSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(12-chlorododecoxy)oxane
CID 14014573
2-(2-chloroethoxy)oxepane
CID 24977653
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
18-(oxan-2-yloxy)octadecylphosphanium iodide
CID 157231904
2-(12-bromododecoxy)oxane
CID 11078592
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
2-(18-iodooctadecoxy)oxane
CID 86124950
zinc 2-(3-bromopropoxy)oxane
CID 175895645
2-octacosoxyoxane
CID 11214102
2-[3-[3-[3-(oxan-2-yloxy)propylsulfanyl]propylsulfanyl]propoxy]oxane
CID 20633393

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloropropoxy)oxane?
The IUPAC name of (2S)-2-(3-chloropropoxy)oxane (CID 36690971) is (2S)-2-(3-chloropropoxy)oxane.
What is the SMILES notation for (2S)-2-(3-chloropropoxy)oxane?
The canonical SMILES for (2S)-2-(3-chloropropoxy)oxane is ClCCCO[C@H]1CCCCO1.
What is the InChIKey of (2S)-2-(3-chloropropoxy)oxane?
The InChIKey is QFXXARKSLAKVRL-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15ClO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-(3-chloropropoxy)oxane?
(2S)-2-(3-chloropropoxy)oxane has a molecular weight of 178.66 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloropropoxy)oxane is sourced from PubChem (CID 36690971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).