2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane

C15H21ClO — CID 65157706

IUPAC2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
SMILESCc1cc(C)c(C(Cl)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H21ClO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9H2,1-3H3
InChIKeyYPMADOCHFQXXGJ-UHFFFAOYSA-N
MW252.78 g/mol
LogP4.46
Rot. Bonds3

About 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane

2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane (PubChem CID 65157706) has the molecular formula C15H21ClO and a molecular weight of 252.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
PubChem CID65157706
Molecular FormulaC15H21ClO
Molecular Weight252.78 g/mol
Exact Mass252.13
IUPAC Name2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane
SMILESCc1cc(C)c(C(Cl)CC2CCCO2)c(C)c1
InChIInChI=1S/C15H21ClO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9H2,1-3H3
InChIKeyYPMADOCHFQXXGJ-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.78
LogP ≤ 54.46
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

2-[2-chloro-2-(2,3,4,5,6-pentamethylphenyl)ethyl]oxolane
CID 65157605
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
2-[2-chloro-2-(4-methoxy-3,5-dimethylphenyl)ethyl]oxolane
CID 83068363
1-(oxolan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 55085081
3-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 65160613
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962
2-(oxolan-2-ylmethoxy)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43183834
[4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butyl]hydrazine
CID 105314099
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
2-[2-chloro-2-(4-propan-2-yloxyphenyl)ethyl]oxolane
CID 65158350
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane?
The IUPAC name of 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane (CID 65157706) is 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane.
What is the SMILES notation for 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane?
The canonical SMILES for 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane is Cc1cc(C)c(C(Cl)CC2CCCO2)c(C)c1.
What is the InChIKey of 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane?
The InChIKey is YPMADOCHFQXXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO/c1-10-7-11(2)15(12(3)8-10)14(16)9-13-5-4-6-17-13/h7-8,13-14H,4-6,9H2,1-3H3.
What are the key properties of 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane?
2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane has a molecular weight of 252.78 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,4,6-trimethylphenyl)ethyl]oxolane is sourced from PubChem (CID 65157706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).