(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

C13H17ClO2S — CID 115814054

IUPAC(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Cl)s2)C(C)(C)O1
InChIInChI=1S/C13H17ClO2S/c1-12(2)7-8(13(3,4)16-12)11(15)9-5-6-10(14)17-9/h5-6,8H,7H2,1-4H3
InChIKeyBTGGONSJRTWAOP-UHFFFAOYSA-N
MW272.80 g/mol
LogP4.18
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone

(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (PubChem CID 115814054) has the molecular formula C13H17ClO2S and a molecular weight of 272.80 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
PubChem CID115814054
Molecular FormulaC13H17ClO2S
Molecular Weight272.80 g/mol
Exact Mass272.06
IUPAC Name(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
SMILESCC1(C)CC(C(=O)c2ccc(Cl)s2)C(C)(C)O1
InChIInChI=1S/C13H17ClO2S/c1-12(2)7-8(13(3,4)16-12)11(15)9-5-6-10(14)17-9/h5-6,8H,7H2,1-4H3
InChIKeyBTGGONSJRTWAOP-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176311
(2-chloro-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814048
(5-chloro-2-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115813985
(3-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 114624557
(4-chloro-2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814122
(5-iodothiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 115814115
(2,6-dimethyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 105134922
cyclohexen-1-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanone
CID 103449867
2-hydroxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-one
CID 103451300
methyl 2-(5-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylate
CID 10060402
1-(2,2,5,5-tetramethyloxolan-3-yl)-2-thiophen-2-ylethanone
CID 114622374
2,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-one
CID 115813931

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone (CID 115814054) is (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is CC1(C)CC(C(=O)c2ccc(Cl)s2)C(C)(C)O1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
The InChIKey is BTGGONSJRTWAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2S/c1-12(2)7-8(13(3,4)16-12)11(15)9-5-6-10(14)17-9/h5-6,8H,7H2,1-4H3.
What are the key properties of (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone?
(5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone has a molecular weight of 272.80 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanone is sourced from PubChem (CID 115814054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).