(3S,4S)-1,3,4-trimethylcyclopentene

C8H14 — CID 134881356

IUPAC(3S,4S)-1,3,4-trimethylcyclopentene
SMILESCC1=C[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C8H14/c1-6-4-7(2)8(3)5-6/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChIKeyCYSKPDLWDAFORP-SFYZADRCSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds

About (3S,4S)-1,3,4-trimethylcyclopentene

(3S,4S)-1,3,4-trimethylcyclopentene (PubChem CID 134881356) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3S,4S)-1,3,4-trimethylcyclopentene.

Molecular Properties

Compound Name(3S,4S)-1,3,4-trimethylcyclopentene
PubChem CID134881356
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3S,4S)-1,3,4-trimethylcyclopentene
SMILESCC1=C[C@@H](C)[C@@H](C)C1
InChIInChI=1S/C8H14/c1-6-4-7(2)8(3)5-6/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1
InChIKeyCYSKPDLWDAFORP-SFYZADRCSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1,3,4-trimethylcyclopentene?
The IUPAC name of (3S,4S)-1,3,4-trimethylcyclopentene (CID 134881356) is (3S,4S)-1,3,4-trimethylcyclopentene.
What is the SMILES notation for (3S,4S)-1,3,4-trimethylcyclopentene?
The canonical SMILES for (3S,4S)-1,3,4-trimethylcyclopentene is CC1=C[C@@H](C)[C@@H](C)C1.
What is the InChIKey of (3S,4S)-1,3,4-trimethylcyclopentene?
The InChIKey is CYSKPDLWDAFORP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H14/c1-6-4-7(2)8(3)5-6/h4,7-8H,5H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of (3S,4S)-1,3,4-trimethylcyclopentene?
(3S,4S)-1,3,4-trimethylcyclopentene has a molecular weight of 110.20 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1,3,4-trimethylcyclopentene is sourced from PubChem (CID 134881356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).