2,3-ditert-butyl-5-chloro-2,3-dihydrofuran

C12H21ClO — CID 177129232

IUPAC2,3-ditert-butyl-5-chloro-2,3-dihydrofuran
SMILESCC(C)(C)C1C=C(Cl)OC1C(C)(C)C
InChIInChI=1S/C12H21ClO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3
InChIKeyYJXFQSACQYQKBB-UHFFFAOYSA-N
MW216.75 g/mol
LogP4.17
Rot. Bonds

About 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran

2,3-ditert-butyl-5-chloro-2,3-dihydrofuran (PubChem CID 177129232) has the molecular formula C12H21ClO and a molecular weight of 216.75 g/mol. Its IUPAC name is 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran.

Molecular Properties

Compound Name2,3-ditert-butyl-5-chloro-2,3-dihydrofuran
PubChem CID177129232
Molecular FormulaC12H21ClO
Molecular Weight216.75 g/mol
Exact Mass216.13
IUPAC Name2,3-ditert-butyl-5-chloro-2,3-dihydrofuran
SMILESCC(C)(C)C1C=C(Cl)OC1C(C)(C)C
InChIInChI=1S/C12H21ClO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3
InChIKeyYJXFQSACQYQKBB-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13024582
4-tert-butyl-3-methyloxetan-2-one
CID 13024580
2,3-ditert-butyl-4,5-dimethyl-2,3-dihydrofuran
CID 59908870
1,2-ditert-butylcyclopropane;2,3-ditert-butyloxirane
CID 157284508
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CID 177424524
4,5-ditert-butyl-1,3-oxathiolan-2-one
CID 20744982
5-tert-butyl-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 58051548
4-tert-butyl-5-(2-methylbutan-2-yl)-1,3-dioxolan-2-one
CID 130249068
(4R,5S)-4-tert-butyl-5-propan-2-yl-1,3-dioxolan-2-one
CID 135210558
2-tert-butyl-3,6-dimethyl-2,3-dihydro-1-benzofuran
CID 126549100
4-tert-butyl-3-phenylsulfanyloxetan-2-one
CID 12552473

Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran?
The IUPAC name of 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran (CID 177129232) is 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran.
What is the SMILES notation for 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran?
The canonical SMILES for 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran is CC(C)(C)C1C=C(Cl)OC1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran?
The InChIKey is YJXFQSACQYQKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClO/c1-11(2,3)8-7-9(13)14-10(8)12(4,5)6/h7-8,10H,1-6H3.
What are the key properties of 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran?
2,3-ditert-butyl-5-chloro-2,3-dihydrofuran has a molecular weight of 216.75 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-5-chloro-2,3-dihydrofuran is sourced from PubChem (CID 177129232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).