(2S)-2-(6-chlorohexyl)oxolane

C10H19ClO — CID 155932056

IUPAC(2S)-2-(6-chlorohexyl)oxolane
SMILESClCCCCCC[C@H]1CCCO1
InChIInChI=1S/C10H19ClO/c11-8-4-2-1-3-6-10-7-5-9-12-10/h10H,1-9H2/t10-/m0/s1
InChIKeyMLOBUQPYQJGVBM-JTQLQIEISA-N
MW190.71 g/mol
LogP3.35
Rot. Bonds6

About (2S)-2-(6-chlorohexyl)oxolane

(2S)-2-(6-chlorohexyl)oxolane (PubChem CID 155932056) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is (2S)-2-(6-chlorohexyl)oxolane.

Molecular Properties

Compound Name(2S)-2-(6-chlorohexyl)oxolane
PubChem CID155932056
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name(2S)-2-(6-chlorohexyl)oxolane
SMILESClCCCCCC[C@H]1CCCO1
InChIInChI=1S/C10H19ClO/c11-8-4-2-1-3-6-10-7-5-9-12-10/h10H,1-9H2/t10-/m0/s1
InChIKeyMLOBUQPYQJGVBM-JTQLQIEISA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-Chloroethyl)oxolane
CID 55301862
2-Butyl-3-chlorotetrahydropyran
CID 12536725
2-(3-Chloropropyl)tetrahydrofuran
CID 14631670
1,3-Dichloro-2-propan-2-yloxydodecane
CID 86660581
1-(2-Chloroethoxy)-1-(chloromethyl)nonane
CID 3388244
2-Methoxy-5-chlorooctane
CID 13844084
(2R,7S)-4-chloro-7-hexyl-2-propyloxepane
CID 102310953
3-Chloro-2-ethoxyhenicosane
CID 129641359
Epoxy nonyl chloride
CID 129726069
Ether, 6-chloro-1-ethyloctyl methyl
CID 552794
(2S,6R)-4-chloro-2,6-dipropyloxane
CID 13759080
2-(5-chloropentyl)tetrahydro-2H-pyran
CID 10352525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-chlorohexyl)oxolane?
The IUPAC name of (2S)-2-(6-chlorohexyl)oxolane (CID 155932056) is (2S)-2-(6-chlorohexyl)oxolane.
What is the SMILES notation for (2S)-2-(6-chlorohexyl)oxolane?
The canonical SMILES for (2S)-2-(6-chlorohexyl)oxolane is ClCCCCCC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(6-chlorohexyl)oxolane?
The InChIKey is MLOBUQPYQJGVBM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19ClO/c11-8-4-2-1-3-6-10-7-5-9-12-10/h10H,1-9H2/t10-/m0/s1.
What are the key properties of (2S)-2-(6-chlorohexyl)oxolane?
(2S)-2-(6-chlorohexyl)oxolane has a molecular weight of 190.71 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-chlorohexyl)oxolane is sourced from PubChem (CID 155932056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).