1,5-Bis[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionyloxy]-3-thiapentane

HCID 20165248
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Basic information

Standard SMILES
O=C(CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1)OCCSCCOC(=O)CCc1cc(C2CCCCC2)c(O)c(C2CCCCC2)c1
InChIKey
VWXJTRGKEUSRAB-UHFFFAOYSA-N
Molecular formula
C46H66O6S
Average molar mass
747.1 g/mol
Monoisotopic mass
746.45801099

Names & identifiers

Preferred name
1,5-Bis[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionyloxy]-3-thiapentane
IUPAC
2-[2-[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-dicyclohexyl-4-hydroxyphenyl)propanoate

Names & synonyms

SCHEMBL4053061VWXJTRGKEUSRAB-UHFFFAOYSA-N1,5-bis[3-(3,5-dicyclohexyl-4-hydroxyphenyl)propionyloxy]-3-thiapentane

Database identifiers

PubChem CID
20165248

Properties

Computed structural properties

XLogP
13.9
Topological polar surface area
118 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
18
Heavy atoms
53

Related reactions

1 records
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Compound notes

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