(3R,4S)-3-ethyl-1,4-dimethylcyclopentene

C9H16 — CID 163464724

IUPAC(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
SMILESCC[C@H]1C=C(C)C[C@@H]1C
InChIInChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h6,8-9H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyBROCRINKISNCBW-IUCAKERBSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

About (3R,4S)-3-ethyl-1,4-dimethylcyclopentene

(3R,4S)-3-ethyl-1,4-dimethylcyclopentene (PubChem CID 163464724) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-1,4-dimethylcyclopentene.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
PubChem CID163464724
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
SMILESCC[C@H]1C=C(C)C[C@@H]1C
InChIInChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h6,8-9H,4-5H2,1-3H3/t8-,9-/m0/s1
InChIKeyBROCRINKISNCBW-IUCAKERBSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-cyclobutyl-3-ethyl-4-methylcyclopentene
CID 163881123
(6S)-3-ethyl-1,4,6-trimethylcyclohexene
CID 163545872
1,3,4,5-tetramethylcyclohexene
CID 12751050
(3S)-1,3-dimethylcyclobutene
CID 58737300
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653
N,N-dimethyl-1-[(1S,2S,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 98157758
N,N-dimethyl-1-[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 40543075
1-methyl-3-propylcyclobutene
CID 14434507
trimethyl-[[(1R,2R,6R)-2,4,6-trimethylcyclohex-3-en-1-yl]methyl]azanium
CID 11891418
N-methyl-1-[(1S,2R,6S)-2,4,6-trimethylcyclohex-3-en-1-yl]methanamine
CID 7302881
(1S,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-ol
CID 59949973

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-1,4-dimethylcyclopentene?
The IUPAC name of (3R,4S)-3-ethyl-1,4-dimethylcyclopentene (CID 163464724) is (3R,4S)-3-ethyl-1,4-dimethylcyclopentene.
What is the SMILES notation for (3R,4S)-3-ethyl-1,4-dimethylcyclopentene?
The canonical SMILES for (3R,4S)-3-ethyl-1,4-dimethylcyclopentene is CC[C@H]1C=C(C)C[C@@H]1C.
What is the InChIKey of (3R,4S)-3-ethyl-1,4-dimethylcyclopentene?
The InChIKey is BROCRINKISNCBW-IUCAKERBSA-N. The full InChI is InChI=1S/C9H16/c1-4-9-6-7(2)5-8(9)3/h6,8-9H,4-5H2,1-3H3/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-1,4-dimethylcyclopentene?
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-1,4-dimethylcyclopentene is sourced from PubChem (CID 163464724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).