4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]

C15H26S — CID 58210287

IUPAC4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]
SMILESCCC1CC(CC)C2C1CSC21CCCC1
InChIInChI=1S/C15H26S/c1-3-11-9-12(4-2)14-13(11)10-16-15(14)7-5-6-8-15/h11-14H,3-10H2,1-2H3
InChIKeyHTTQLBUXRBRDFV-UHFFFAOYSA-N
MW238.44 g/mol
LogP4.73
Rot. Bonds2

About 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]

4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane] (PubChem CID 58210287) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane].

Molecular Properties

Compound Name4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]
PubChem CID58210287
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]
SMILESCCC1CC(CC)C2C1CSC21CCCC1
InChIInChI=1S/C15H26S/c1-3-11-9-12(4-2)14-13(11)10-16-15(14)7-5-6-8-15/h11-14H,3-10H2,1-2H3
InChIKeyHTTQLBUXRBRDFV-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]?
The IUPAC name of 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane] (CID 58210287) is 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane].
What is the SMILES notation for 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]?
The canonical SMILES for 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane] is CCC1CC(CC)C2C1CSC21CCCC1.
What is the InChIKey of 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]?
The InChIKey is HTTQLBUXRBRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26S/c1-3-11-9-12(4-2)14-13(11)10-16-15(14)7-5-6-8-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane]?
4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane] has a molecular weight of 238.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethylspiro[1,3a,4,5,6,6a-hexahydrocyclopenta[c]thiophene-3,1'-cyclopentane] is sourced from PubChem (CID 58210287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).