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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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).