2-chloro-5-ethyl-3-propan-2-yloxane

C10H19ClO — CID 23124370

IUPAC2-chloro-5-ethyl-3-propan-2-yloxane
SMILESCCC1COC(Cl)C(C(C)C)C1
InChIInChI=1S/C10H19ClO/c1-4-8-5-9(7(2)3)10(11)12-6-8/h7-10H,4-6H2,1-3H3
InChIKeyYXPBVSRABBNJIN-UHFFFAOYSA-N
MW190.71 g/mol
LogP3.27
Rot. Bonds2

About 2-chloro-5-ethyl-3-propan-2-yloxane

2-chloro-5-ethyl-3-propan-2-yloxane (PubChem CID 23124370) has the molecular formula C10H19ClO and a molecular weight of 190.71 g/mol. Its IUPAC name is 2-chloro-5-ethyl-3-propan-2-yloxane.

Molecular Properties

Compound Name2-chloro-5-ethyl-3-propan-2-yloxane
PubChem CID23124370
Molecular FormulaC10H19ClO
Molecular Weight190.71 g/mol
Exact Mass190.11
IUPAC Name2-chloro-5-ethyl-3-propan-2-yloxane
SMILESCCC1COC(Cl)C(C(C)C)C1
InChIInChI=1S/C10H19ClO/c1-4-8-5-9(7(2)3)10(11)12-6-8/h7-10H,4-6H2,1-3H3
InChIKeyYXPBVSRABBNJIN-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.71
LogP ≤ 53.27
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

5-ethyl-2-propan-2-yloxane
CID 129254270
(2R,3R,5S)-5-ethyloxane-2,3-diol
CID 163705595
[(2S,4S)-4-ethyloxolan-2-yl]methanol
CID 124585151
cis-(1S,2S)-1-chloro-2-propan-2-ylcyclopropane
CID 59618047
cis-(1R,2R)-1-chloro-2-propan-2-ylcyclopropane
CID 59618199
(2S,4S)-4-ethyl-2-(methoxymethyl)oxolane
CID 146559108
1-chloro-3-ethylcyclobutane
CID 57207865
3-ethyl-7-propan-2-ylbicyclo[3.3.1]nonane
CID 76732971
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
5-ethyl-1-methyl-2-propan-2-ylcycloheptane
CID 123365042
3,4-di(propan-2-yl)oxolane;2-methylbutane
CID 161401744
2-ethyl-4,6-di(propan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91278744

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-3-propan-2-yloxane?
The IUPAC name of 2-chloro-5-ethyl-3-propan-2-yloxane (CID 23124370) is 2-chloro-5-ethyl-3-propan-2-yloxane.
What is the SMILES notation for 2-chloro-5-ethyl-3-propan-2-yloxane?
The canonical SMILES for 2-chloro-5-ethyl-3-propan-2-yloxane is CCC1COC(Cl)C(C(C)C)C1.
What is the InChIKey of 2-chloro-5-ethyl-3-propan-2-yloxane?
The InChIKey is YXPBVSRABBNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO/c1-4-8-5-9(7(2)3)10(11)12-6-8/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-chloro-5-ethyl-3-propan-2-yloxane?
2-chloro-5-ethyl-3-propan-2-yloxane has a molecular weight of 190.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-3-propan-2-yloxane is sourced from PubChem (CID 23124370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).