5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene

C25H46S — CID 59672014

IUPAC5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCSC1C=CC=C1
InChIInChI=1S/C25H46S/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-26-25-17-6-7-18-25/h6-7,17-18,21-25H,8-16,19-20H2,1-5H3
InChIKeyRLWKFBBQVMQNBB-UHFFFAOYSA-N
MW378.71 g/mol
LogP8.68
Rot. Bonds16

About 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene

5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene (PubChem CID 59672014) has the molecular formula C25H46S and a molecular weight of 378.71 g/mol. Its IUPAC name is 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene
PubChem CID59672014
Molecular FormulaC25H46S
Molecular Weight378.71 g/mol
Exact Mass378.33
IUPAC Name5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CCSC1C=CC=C1
InChIInChI=1S/C25H46S/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-26-25-17-6-7-18-25/h6-7,17-18,21-25H,8-16,19-20H2,1-5H3
InChIKeyRLWKFBBQVMQNBB-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.71
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene (CID 59672014) is 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene is CC(C)CCCC(C)CCCC(C)CCCC(C)CCSC1C=CC=C1.
What is the InChIKey of 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene?
The InChIKey is RLWKFBBQVMQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46S/c1-21(2)11-8-12-22(3)13-9-14-23(4)15-10-16-24(5)19-20-26-25-17-6-7-18-25/h6-7,17-18,21-25H,8-16,19-20H2,1-5H3.
What are the key properties of 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene?
5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene has a molecular weight of 378.71 g/mol, XLogP of 8.68, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,7,11,15-tetramethylhexadecylsulfanyl)cyclopenta-1,3-diene is sourced from PubChem (CID 59672014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).