(5R)-4-ethyl-5-methylcyclohexene

C9H16 — CID 154516565

IUPAC(5R)-4-ethyl-5-methylcyclohexene
SMILESCCC1CC=CC[C@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3/t8-,9?/m1/s1
InChIKeySQMKABAKRUDIOX-VEDVMXKPSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds1

About (5R)-4-ethyl-5-methylcyclohexene

(5R)-4-ethyl-5-methylcyclohexene (PubChem CID 154516565) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (5R)-4-ethyl-5-methylcyclohexene.

Molecular Properties

Compound Name(5R)-4-ethyl-5-methylcyclohexene
PubChem CID154516565
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(5R)-4-ethyl-5-methylcyclohexene
SMILESCCC1CC=CC[C@H]1C
InChIInChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3/t8-,9?/m1/s1
InChIKeySQMKABAKRUDIOX-VEDVMXKPSA-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

ethane;(4S,5S)-4-ethyl-5-methylcycloheptene
CID 169190782
(1R,6S)-6-ethylcyclohex-3-en-1-amine
CID 129102540
5-ethyl-3,6,7-trimethylcyclooctene
CID 123325813
6-ethylcyclohex-3-en-1-amine;molecular hydrogen
CID 142008891
5,6-diethylcyclohepta-1,3-diene
CID 90988360
3-ethyl-2-methyl-1,2,3,4-tetrahydropyridine
CID 58247732
(5S)-4-methyl-5-[(2Z)-penta-2,4-dienyl]cyclohexene
CID 163486366
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetonitrile
CID 43128836
2-methyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]butanoic acid
CID 114988327
2-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 62455176
2-[(6-methylcyclohex-3-en-1-yl)methoxy]acetic acid
CID 43128760
1-[(6-methylcyclohex-3-en-1-yl)methoxy]pentan-2-one
CID 62044489

Frequently Asked Questions

What is the IUPAC name of (5R)-4-ethyl-5-methylcyclohexene?
The IUPAC name of (5R)-4-ethyl-5-methylcyclohexene (CID 154516565) is (5R)-4-ethyl-5-methylcyclohexene.
What is the SMILES notation for (5R)-4-ethyl-5-methylcyclohexene?
The canonical SMILES for (5R)-4-ethyl-5-methylcyclohexene is CCC1CC=CC[C@H]1C.
What is the InChIKey of (5R)-4-ethyl-5-methylcyclohexene?
The InChIKey is SQMKABAKRUDIOX-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H16/c1-3-9-7-5-4-6-8(9)2/h4-5,8-9H,3,6-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (5R)-4-ethyl-5-methylcyclohexene?
(5R)-4-ethyl-5-methylcyclohexene 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 (5R)-4-ethyl-5-methylcyclohexene is sourced from PubChem (CID 154516565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).