2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane

C14H27ClO — CID 23124348

IUPAC2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane
SMILESCCCCC(CC)CC1C(CC)COC1Cl
InChIInChI=1S/C14H27ClO/c1-4-7-8-11(5-2)9-13-12(6-3)10-16-14(13)15/h11-14H,4-10H2,1-3H3
InChIKeyAXIIMECJMBNDJI-UHFFFAOYSA-N
MW246.82 g/mol
LogP4.83
Rot. Bonds7

About 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane

2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane (PubChem CID 23124348) has the molecular formula C14H27ClO and a molecular weight of 246.82 g/mol. Its IUPAC name is 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane.

Molecular Properties

Compound Name2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane
PubChem CID23124348
Molecular FormulaC14H27ClO
Molecular Weight246.82 g/mol
Exact Mass246.18
IUPAC Name2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane
SMILESCCCCC(CC)CC1C(CC)COC1Cl
InChIInChI=1S/C14H27ClO/c1-4-7-8-11(5-2)9-13-12(6-3)10-16-14(13)15/h11-14H,4-10H2,1-3H3
InChIKeyAXIIMECJMBNDJI-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.82
LogP ≤ 54.83
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-cyclohexyltetrahydropyran
CID 543344
4-Chloro-3-n-hexyltetrahydropyran
CID 534582
[1-Chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane
CID 112570475
14-Oxabicyclo[10.3.0]pentadecane, 2-chloro-
CID 535082
(2R,5R)-2-(2,2-dichloroethyl)-5-isopropyltetrahydrofuran
CID 642405
4-Chloro-3-nonyloxane
CID 13087293
2-Chloro-4-ethyl-3-nonyloxolane
CID 23124321
2-Chloro-4-ethyl-3-(2-methylbutan-2-yl)oxolane
CID 23124322
2-Chloro-5-ethyl-3-pentyloxane
CID 23124331
2-Chloro-5-methyl-3-pentyloxane
CID 23124332
2-Chloro-5-methyl-3-(2-methylbutan-2-yl)oxane
CID 23124334

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane?
The IUPAC name of 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane (CID 23124348) is 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane.
What is the SMILES notation for 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane?
The canonical SMILES for 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane is CCCCC(CC)CC1C(CC)COC1Cl.
What is the InChIKey of 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane?
The InChIKey is AXIIMECJMBNDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO/c1-4-7-8-11(5-2)9-13-12(6-3)10-16-14(13)15/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane?
2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane has a molecular weight of 246.82 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-3-(2-ethylhexyl)oxolane is sourced from PubChem (CID 23124348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).