ethane;1,2,4,4-tetramethylcyclopentene

C11H22 — CID 144931776

IUPACethane;1,2,4,4-tetramethylcyclopentene
SMILESCC.CC1=C(C)CC(C)(C)C1
InChIInChI=1S/C9H16.C2H6/c1-7-5-9(3,4)6-8(7)2;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyYLLSGYZBYPOAKW-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.17
Rot. Bonds

About ethane;1,2,4,4-tetramethylcyclopentene

ethane;1,2,4,4-tetramethylcyclopentene (PubChem CID 144931776) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;1,2,4,4-tetramethylcyclopentene.

Molecular Properties

Compound Nameethane;1,2,4,4-tetramethylcyclopentene
PubChem CID144931776
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;1,2,4,4-tetramethylcyclopentene
SMILESCC.CC1=C(C)CC(C)(C)C1
InChIInChI=1S/C9H16.C2H6/c1-7-5-9(3,4)6-8(7)2;1-2/h5-6H2,1-4H3;1-2H3
InChIKeyYLLSGYZBYPOAKW-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.17
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

CID 169256338
CID 169256338
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
1,2,4,4,6-pentamethylcycloheptene
CID 91222128
2,4,4-trimethyl-6-oxocyclohexene-1-carbonitrile
CID 22623478
2-isocyano-3,5,5-trimethylcyclohex-2-en-1-one
CID 175841517
ethanamine;2,3,5,5-tetramethylcyclohex-2-en-1-one
CID 175273412
4,4-dichloro-1,2-dimethylcyclopentene
CID 13433963
(1R,6S)-1,6-dichloro-7,7-difluoro-3,4-dimethylbicyclo[4.1.0]hept-3-ene
CID 640444
2,5-dimethylbicyclo[3.1.0]hex-1-ene
CID 91551735
3,4-dimethyl-2,5-dihydropyran-6,6-dithiol
CID 163379853
2-(2,4,4-trimethyl-6-oxocyclohexen-1-yl)sulfanylacetaldehyde
CID 12669837
2-anilino-3,5,5-trimethylcyclohex-2-en-1-one
CID 141490074

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,4,4-tetramethylcyclopentene?
The IUPAC name of ethane;1,2,4,4-tetramethylcyclopentene (CID 144931776) is ethane;1,2,4,4-tetramethylcyclopentene.
What is the SMILES notation for ethane;1,2,4,4-tetramethylcyclopentene?
The canonical SMILES for ethane;1,2,4,4-tetramethylcyclopentene is CC.CC1=C(C)CC(C)(C)C1.
What is the InChIKey of ethane;1,2,4,4-tetramethylcyclopentene?
The InChIKey is YLLSGYZBYPOAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-7-5-9(3,4)6-8(7)2;1-2/h5-6H2,1-4H3;1-2H3.
What are the key properties of ethane;1,2,4,4-tetramethylcyclopentene?
ethane;1,2,4,4-tetramethylcyclopentene has a molecular weight of 154.30 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,4,4-tetramethylcyclopentene is sourced from PubChem (CID 144931776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).