2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene

C10H16S — CID 87976124

IUPAC2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
SMILESCC(C)SCCC1=CCC=C1
InChIInChI=1S/C10H16S/c1-9(2)11-8-7-10-5-3-4-6-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyMIDPGFILTFHRRU-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.40
Rot. Bonds4

About 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene

2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene (PubChem CID 87976124) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
PubChem CID87976124
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
SMILESCC(C)SCCC1=CCC=C1
InChIInChI=1S/C10H16S/c1-9(2)11-8-7-10-5-3-4-6-10/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyMIDPGFILTFHRRU-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181
3-cyclopenta-1,4-dien-1-ylpropanal
CID 12934697
2-(2-methylheptyl)cyclopenta-1,3-diene
CID 175053083
8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
CID 173001338
N,N'-dimethyl-N,N'-di(propan-2-yl)ethane-1,2-diamine;1,4-di(propan-2-yl)piperazine;N-methyl-N-(2-propan-2-ylsulfanylethyl)propan-2-amine
CID 167612038
2-(1-ethylsulfanylethyl)cyclopenta-1,3-diene
CID 22555230
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285
2-(3-cyclopenta-1,4-dien-1-yl-2-methylpropyl)-1,1-dimethylhydrazine
CID 156544278

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene (CID 87976124) is 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene is CC(C)SCCC1=CCC=C1.
What is the InChIKey of 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene?
The InChIKey is MIDPGFILTFHRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-9(2)11-8-7-10-5-3-4-6-10/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene?
2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene has a molecular weight of 168.30 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 87976124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).