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

C8H14 — CID 145186041

IUPAC(3S)-3,4,4-trimethylcyclopentene
SMILESC[C@H]1C=CCC1(C)C
InChIInChI=1S/C8H14/c1-7-5-4-6-8(7,2)3/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyKYTOLKCNMIZSRN-ZETCQYMHSA-N
MW110.20 g/mol
LogP2.61
Rot. Bonds

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

(3S)-3,4,4-trimethylcyclopentene (PubChem CID 145186041) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is (3S)-3,4,4-trimethylcyclopentene.

Molecular Properties

Compound Name(3S)-3,4,4-trimethylcyclopentene
PubChem CID145186041
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name(3S)-3,4,4-trimethylcyclopentene
SMILESC[C@H]1C=CCC1(C)C
InChIInChI=1S/C8H14/c1-7-5-4-6-8(7,2)3/h4-5,7H,6H2,1-3H3/t7-/m0/s1
InChIKeyKYTOLKCNMIZSRN-ZETCQYMHSA-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)-3,4,4-trimethylcyclopentene?
The IUPAC name of (3S)-3,4,4-trimethylcyclopentene (CID 145186041) is (3S)-3,4,4-trimethylcyclopentene.
What is the SMILES notation for (3S)-3,4,4-trimethylcyclopentene?
The canonical SMILES for (3S)-3,4,4-trimethylcyclopentene is C[C@H]1C=CCC1(C)C.
What is the InChIKey of (3S)-3,4,4-trimethylcyclopentene?
The InChIKey is KYTOLKCNMIZSRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14/c1-7-5-4-6-8(7,2)3/h4-5,7H,6H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-3,4,4-trimethylcyclopentene?
(3S)-3,4,4-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)-3,4,4-trimethylcyclopentene is sourced from PubChem (CID 145186041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).