2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate

C14H21ClO5S — CID 65373732

IUPAC2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C14H21ClO5S/c1-4-6-7-11(5-2)9-19-14(16)12-8-13(10(3)20-12)21(15,17)18/h8,11H,4-7,9H2,1-3H3
InChIKeyCYMQDVFPRJJKPR-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.89
Rot. Bonds8

About 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate

2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate (PubChem CID 65373732) has the molecular formula C14H21ClO5S and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
PubChem CID65373732
Molecular FormulaC14H21ClO5S
Molecular Weight336.84 g/mol
Exact Mass336.08
IUPAC Name2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
SMILESCCCCC(CC)COC(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C14H21ClO5S/c1-4-6-7-11(5-2)9-19-14(16)12-8-13(10(3)20-12)21(15,17)18/h8,11H,4-7,9H2,1-3H3
InChIKeyCYMQDVFPRJJKPR-UHFFFAOYSA-N
XLogP3.89
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

bis[(2S)-2-ethylhexyl] furan-2,5-dicarboxylate
CID 137368086
2-ethylhexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65373925
4-O,5-O-diethyl 1-O,2-O-bis(2-ethylhexyl) benzene-1,2,4,5-tetracarboxylate
CID 50905906
tert-butyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65398469
2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
CID 65370536
4-(2-ethylhexoxy)-2,5-dimethylbenzenesulfonyl chloride
CID 78974790
bis(2-ethylhexyl) benzene-1,2-dicarboxylate;tetramethylsilane
CID 67644728
bis(2-ethylhexyl) 5-sulfanylbenzene-1,3-dicarboxylate
CID 20610367
2-butylnonyl 5-methylfuran-2-carboxylate
CID 169048234
2-ethylhexyl 2,4-diamino-3-methylbenzoate
CID 57072816
2-ethylhexyl 4-amino-3-methylbenzoate
CID 63446671
diethyl 2-(2-ethylhexoxycarbonylamino)-5-methylfuran-3,4-dicarboxylate
CID 108739457

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The IUPAC name of 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate (CID 65373732) is 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate.
What is the SMILES notation for 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The canonical SMILES for 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate is CCCCC(CC)COC(=O)c1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
The InChIKey is CYMQDVFPRJJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO5S/c1-4-6-7-11(5-2)9-19-14(16)12-8-13(10(3)20-12)21(15,17)18/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate?
2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate has a molecular weight of 336.84 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate is sourced from PubChem (CID 65373732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).