(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene

C10H18S — CID 90872854

IUPAC(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene
SMILESCC[C@H]1CC(SC)=C[C@@H]1CC
InChIInChI=1S/C10H18S/c1-4-8-6-10(11-3)7-9(8)5-2/h6,8-9H,4-5,7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRXPIBCNEDKIHJQ-IUCAKERBSA-N
MW170.32 g/mol
LogP3.69
Rot. Bonds3

About (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene

(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene (PubChem CID 90872854) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene.

Molecular Properties

Compound Name(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene
PubChem CID90872854
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene
SMILESCC[C@H]1CC(SC)=C[C@@H]1CC
InChIInChI=1S/C10H18S/c1-4-8-6-10(11-3)7-9(8)5-2/h6,8-9H,4-5,7H2,1-3H3/t8-,9-/m0/s1
InChIKeyRXPIBCNEDKIHJQ-IUCAKERBSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene?
The IUPAC name of (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene (CID 90872854) is (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene.
What is the SMILES notation for (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene?
The canonical SMILES for (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene is CC[C@H]1CC(SC)=C[C@@H]1CC.
What is the InChIKey of (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene?
The InChIKey is RXPIBCNEDKIHJQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H18S/c1-4-8-6-10(11-3)7-9(8)5-2/h6,8-9H,4-5,7H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene?
(3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene has a molecular weight of 170.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4-diethyl-1-methylsulfanylcyclopentene is sourced from PubChem (CID 90872854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).