1,3,5-tri(propan-2-yl)adamantane

C19H34 — CID 11436965

IUPAC1,3,5-tri(propan-2-yl)adamantane
SMILESCC(C)C12CC3CC(C(C)C)(C1)CC(C(C)C)(C3)C2
InChIInChI=1S/C19H34/c1-13(2)17-7-16-8-18(10-17,14(3)4)12-19(9-16,11-17)15(5)6/h13-16H,7-12H2,1-6H3
InChIKeyATFSECJJCUBUDK-UHFFFAOYSA-N
MW262.48 g/mol
LogP5.91
Rot. Bonds3

About 1,3,5-tri(propan-2-yl)adamantane

1,3,5-tri(propan-2-yl)adamantane (PubChem CID 11436965) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1,3,5-tri(propan-2-yl)adamantane.

Molecular Properties

Compound Name1,3,5-tri(propan-2-yl)adamantane
PubChem CID11436965
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1,3,5-tri(propan-2-yl)adamantane
SMILESCC(C)C12CC3CC(C(C)C)(C1)CC(C(C)C)(C3)C2
InChIInChI=1S/C19H34/c1-13(2)17-7-16-8-18(10-17,14(3)4)12-19(9-16,11-17)15(5)6/h13-16H,7-12H2,1-6H3
InChIKeyATFSECJJCUBUDK-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tri(propan-2-yl)adamantane?
The IUPAC name of 1,3,5-tri(propan-2-yl)adamantane (CID 11436965) is 1,3,5-tri(propan-2-yl)adamantane.
What is the SMILES notation for 1,3,5-tri(propan-2-yl)adamantane?
The canonical SMILES for 1,3,5-tri(propan-2-yl)adamantane is CC(C)C12CC3CC(C(C)C)(C1)CC(C(C)C)(C3)C2.
What is the InChIKey of 1,3,5-tri(propan-2-yl)adamantane?
The InChIKey is ATFSECJJCUBUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-13(2)17-7-16-8-18(10-17,14(3)4)12-19(9-16,11-17)15(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 1,3,5-tri(propan-2-yl)adamantane?
1,3,5-tri(propan-2-yl)adamantane has a molecular weight of 262.48 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tri(propan-2-yl)adamantane is sourced from PubChem (CID 11436965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).