2-chloro-3-(2-ethylhexyl)oxolane

C12H23ClO — CID 23124503

IUPAC2-chloro-3-(2-ethylhexyl)oxolane
SMILESCCCCC(CC)CC1CCOC1Cl
InChIInChI=1S/C12H23ClO/c1-3-5-6-10(4-2)9-11-7-8-14-12(11)13/h10-12H,3-9H2,1-2H3
InChIKeyQJYNWQBBWCYOEU-UHFFFAOYSA-N
MW218.77 g/mol
LogP4.19
Rot. Bonds6

About 2-chloro-3-(2-ethylhexyl)oxolane

2-chloro-3-(2-ethylhexyl)oxolane (PubChem CID 23124503) has the molecular formula C12H23ClO and a molecular weight of 218.77 g/mol. Its IUPAC name is 2-chloro-3-(2-ethylhexyl)oxolane.

Molecular Properties

Compound Name2-chloro-3-(2-ethylhexyl)oxolane
PubChem CID23124503
Molecular FormulaC12H23ClO
Molecular Weight218.77 g/mol
Exact Mass218.14
IUPAC Name2-chloro-3-(2-ethylhexyl)oxolane
SMILESCCCCC(CC)CC1CCOC1Cl
InChIInChI=1S/C12H23ClO/c1-3-5-6-10(4-2)9-11-7-8-14-12(11)13/h10-12H,3-9H2,1-2H3
InChIKeyQJYNWQBBWCYOEU-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 54.19
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

Pyran, 4-chloro-3-heptyltetrahydro-
CID 141641
4-Chloro-3-n-hexyltetrahydropyran
CID 534582
7-Chloro-1-methoxy-3,7-dimethyloctane
CID 88546632
13-Oxabicyclo[9.3.1]pentadecane, 15-chloro-
CID 534616
14-Oxabicyclo[10.3.0]pentadecane, 2-chloro-
CID 535082
4-Chloro-3-n-butyltetrahydropyran
CID 543450
(2R,5R)-2-(2,2-dichloroethyl)-5-isopropyltetrahydrofuran
CID 642405
4-Chloro-3-nonyloxane
CID 13087293
1-(1-Chloro-2-methylbutoxy)octane
CID 23124320
2-Chloro-4-ethyl-3-nonyloxolane
CID 23124321
1-(1-Chloro-2-ethylbutoxy)heptane
CID 23124325
2-Chloro-5-ethyl-3-pentyloxane
CID 23124331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-ethylhexyl)oxolane?
The IUPAC name of 2-chloro-3-(2-ethylhexyl)oxolane (CID 23124503) is 2-chloro-3-(2-ethylhexyl)oxolane.
What is the SMILES notation for 2-chloro-3-(2-ethylhexyl)oxolane?
The canonical SMILES for 2-chloro-3-(2-ethylhexyl)oxolane is CCCCC(CC)CC1CCOC1Cl.
What is the InChIKey of 2-chloro-3-(2-ethylhexyl)oxolane?
The InChIKey is QJYNWQBBWCYOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO/c1-3-5-6-10(4-2)9-11-7-8-14-12(11)13/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-chloro-3-(2-ethylhexyl)oxolane?
2-chloro-3-(2-ethylhexyl)oxolane has a molecular weight of 218.77 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-ethylhexyl)oxolane is sourced from PubChem (CID 23124503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).