1-(2-methylpenta-2,3-dienyl)adamantane

C16H24 — CID 584805

IUPAC1-(2-methylpenta-2,3-dienyl)adamantane
SMILESCC=C=C(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24/c1-3-4-12(2)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h3,13-15H,5-11H2,1-2H3
InChIKeyNKBZVAXPJJGLCK-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.71
Rot. Bonds2

About 1-(2-methylpenta-2,3-dienyl)adamantane

1-(2-methylpenta-2,3-dienyl)adamantane (PubChem CID 584805) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(2-methylpenta-2,3-dienyl)adamantane.

Molecular Properties

Compound Name1-(2-methylpenta-2,3-dienyl)adamantane
PubChem CID584805
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1-(2-methylpenta-2,3-dienyl)adamantane
SMILESCC=C=C(C)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H24/c1-3-4-12(2)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h3,13-15H,5-11H2,1-2H3
InChIKeyNKBZVAXPJJGLCK-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpenta-2,3-dienyl)adamantane?
The IUPAC name of 1-(2-methylpenta-2,3-dienyl)adamantane (CID 584805) is 1-(2-methylpenta-2,3-dienyl)adamantane.
What is the SMILES notation for 1-(2-methylpenta-2,3-dienyl)adamantane?
The canonical SMILES for 1-(2-methylpenta-2,3-dienyl)adamantane is CC=C=C(C)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-methylpenta-2,3-dienyl)adamantane?
The InChIKey is NKBZVAXPJJGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-4-12(2)8-16-9-13-5-14(10-16)7-15(6-13)11-16/h3,13-15H,5-11H2,1-2H3.
What are the key properties of 1-(2-methylpenta-2,3-dienyl)adamantane?
1-(2-methylpenta-2,3-dienyl)adamantane has a molecular weight of 216.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpenta-2,3-dienyl)adamantane is sourced from PubChem (CID 584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).