2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane

C23H36 — CID 123651736

IUPAC2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane
SMILESCCC1(C23CCCC2C2CCC3(C)C2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36/c1-3-22(18-10-15-9-16(12-18)13-19(22)11-15)23-7-4-5-20(23)17-6-8-21(23,2)14-17/h15-20H,3-14H2,1-2H3
InChIKeyZRSYIQIFQDTTAP-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.45
Rot. Bonds2

About 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane

2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane (PubChem CID 123651736) has the molecular formula C23H36 and a molecular weight of 312.54 g/mol. Its IUPAC name is 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane.

Molecular Properties

Compound Name2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane
PubChem CID123651736
Molecular FormulaC23H36
Molecular Weight312.54 g/mol
Exact Mass312.28
IUPAC Name2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane
SMILESCCC1(C23CCCC2C2CCC3(C)C2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C23H36/c1-3-22(18-10-15-9-16(12-18)13-19(22)11-15)23-7-4-5-20(23)17-6-8-21(23,2)14-17/h15-20H,3-14H2,1-2H3
InChIKeyZRSYIQIFQDTTAP-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane?
The IUPAC name of 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane (CID 123651736) is 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane.
What is the SMILES notation for 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane?
The canonical SMILES for 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane is CCC1(C23CCCC2C2CCC3(C)C2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane?
The InChIKey is ZRSYIQIFQDTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36/c1-3-22(18-10-15-9-16(12-18)13-19(22)11-15)23-7-4-5-20(23)17-6-8-21(23,2)14-17/h15-20H,3-14H2,1-2H3.
What are the key properties of 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane?
2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane has a molecular weight of 312.54 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(1-methyl-2-tricyclo[5.2.1.02,6]decanyl)adamantane is sourced from PubChem (CID 123651736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).