1-cyclohexyladamantane

C16H26 — CID 3770255

IUPAC1-cyclohexyladamantane
SMILESC1CCC(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2
InChIKeyCQGHTYOKYHAPCM-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.78
Rot. Bonds1

About 1-cyclohexyladamantane

1-cyclohexyladamantane (PubChem CID 3770255) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1-cyclohexyladamantane.

Molecular Properties

Compound Name1-cyclohexyladamantane
PubChem CID3770255
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1-cyclohexyladamantane
SMILESC1CCC(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2
InChIKeyCQGHTYOKYHAPCM-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyladamantane?
The IUPAC name of 1-cyclohexyladamantane (CID 3770255) is 1-cyclohexyladamantane.
What is the SMILES notation for 1-cyclohexyladamantane?
The canonical SMILES for 1-cyclohexyladamantane is C1CCC(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-cyclohexyladamantane?
The InChIKey is CQGHTYOKYHAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h12-15H,1-11H2.
What are the key properties of 1-cyclohexyladamantane?
1-cyclohexyladamantane has a molecular weight of 218.38 g/mol, XLogP of 4.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyladamantane is sourced from PubChem (CID 3770255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).