1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane

C16H22 — CID 23107142

IUPAC1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane
SMILESCC1=CCC=C1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22/c1-11-3-2-4-15(11)16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,12-14H,2,5-10H2,1H3
InChIKeyFLYVPGKLZOJDIY-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.48
Rot. Bonds1

About 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane

1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane (PubChem CID 23107142) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane.

Molecular Properties

Compound Name1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane
PubChem CID23107142
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane
SMILESCC1=CCC=C1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H22/c1-11-3-2-4-15(11)16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,12-14H,2,5-10H2,1H3
InChIKeyFLYVPGKLZOJDIY-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(1-adamantyl)-5-methylphenyl]adamantane
CID 178165770
2,6-bis(1-adamantyl)-4-methylphenol
CID 4686402
2,3,4,6-tetrakis(1-adamantyl)-5-methylphenol
CID 87124844
4-(1-adamantyl)-2,6-dimethylpyridine;hydrochloride
CID 44657953
2,4,5-tris(1-adamantyl)-3,6-dimethylphenol
CID 87124806
4-(1-adamantyl)-2-methyl-1,3-oxazole
CID 2836021
1-[3-(1-adamantyl)-2-methoxy-5-methylphenyl]adamantane
CID 168737597
2,3-bis(1-adamantyl)-6-tert-butyl-4-methylphenol
CID 87124942
2-(1-adamantyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475637
2-(1-adamantyl)benzene-1,3-diol
CID 22754692
1-[2-[[2-(1-adamantyl)-4-methylphenoxy]amino]oxy-5-methylphenyl]adamantane
CID 57431403
2-(1-adamantyl)-4-methylspiro[bicyclo[3.1.0]hexa-1(5),2-diene-6,1'-cyclohexane]
CID 90893093

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane?
The IUPAC name of 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane (CID 23107142) is 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane.
What is the SMILES notation for 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane?
The canonical SMILES for 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane is CC1=CCC=C1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane?
The InChIKey is FLYVPGKLZOJDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11-3-2-4-15(11)16-8-12-5-13(9-16)7-14(6-12)10-16/h3-4,12-14H,2,5-10H2,1H3.
What are the key properties of 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane?
1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane has a molecular weight of 214.35 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclopenta-1,4-dien-1-yl)adamantane is sourced from PubChem (CID 23107142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).