1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene

C21H38 — CID 18716323

IUPAC1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene
SMILESCC1=C(C)C(C)C(C)(CC2(C)C(C)C(C)C(C)C2C)C1C
InChIInChI=1S/C21H38/c1-12-13(2)17(6)20(9,16(12)5)11-21(10)18(7)14(3)15(4)19(21)8/h12-13,16-19H,11H2,1-10H3
InChIKeyUZQQPKVCMGTLSH-UHFFFAOYSA-N
MW290.54 g/mol
LogP6.57
Rot. Bonds2

About 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene

1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene (PubChem CID 18716323) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene
PubChem CID18716323
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene
SMILESCC1=C(C)C(C)C(C)(CC2(C)C(C)C(C)C(C)C2C)C1C
InChIInChI=1S/C21H38/c1-12-13(2)17(6)20(9,16(12)5)11-21(10)18(7)14(3)15(4)19(21)8/h12-13,16-19H,11H2,1-10H3
InChIKeyUZQQPKVCMGTLSH-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 56.57
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

1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
2-ethyl-2,3,5-trimethylbicyclo[2.1.0]pentane
CID 123929300
(1R,4S,6S)-1,2,3,4,5,6-hexamethylbicyclo[3.1.0]hex-2-ene
CID 98522466
1,4-dimethyl-2-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]-1,3-di(propan-2-yl)triazete-1,3-diium
CID 123290821
6-ethyl-2,3,3,4,6-pentamethylbicyclo[3.1.0]hexane
CID 143720874
(3R,5S)-1,2,3,4,5-pentamethylcyclopentene;(5S)-1,2,3,4,5-pentamethylcyclopentene;propane
CID 91251322
4-ethyl-3,4,5-trimethyl-2-methylidenecyclohexan-1-amine
CID 143547151
2,3,5,6-tetramethylbicyclo[2.2.0]hex-2-en-1-amine
CID 163748640
2,3,4,5,6,6-hexamethylcyclohexa-1,3-dien-1-amine
CID 155197259
1,2,3,4,5,6-hexamethylcyclohexene;osmium
CID 173399747
(1S,2S,6R)-1-ethyl-1,2,6-trimethyl-3-methylidenecyclohexane
CID 157314245
1,2,3,4-tetramethylcyclobutene
CID 565395

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene?
The IUPAC name of 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene (CID 18716323) is 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene is CC1=C(C)C(C)C(C)(CC2(C)C(C)C(C)C(C)C2C)C1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene?
The InChIKey is UZQQPKVCMGTLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-12-13(2)17(6)20(9,16(12)5)11-21(10)18(7)14(3)15(4)19(21)8/h12-13,16-19H,11H2,1-10H3.
What are the key properties of 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene?
1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene has a molecular weight of 290.54 g/mol, XLogP of 6.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentamethyl-4-[(1,2,3,4,5-pentamethylcyclopentyl)methyl]cyclopentene is sourced from PubChem (CID 18716323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).