1,3,5-triethyladamantane

C16H28 — CID 21415733

IUPAC1,3,5-triethyladamantane
SMILESCCC12CC3CC(CC)(C1)CC(CC)(C3)C2
InChIInChI=1S/C16H28/c1-4-14-7-13-8-15(5-2,10-14)12-16(6-3,9-13)11-14/h13H,4-12H2,1-3H3
InChIKeyDNVVOGZRZMWYJG-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds3

About 1,3,5-triethyladamantane

1,3,5-triethyladamantane (PubChem CID 21415733) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1,3,5-triethyladamantane.

Molecular Properties

Compound Name1,3,5-triethyladamantane
PubChem CID21415733
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name1,3,5-triethyladamantane
SMILESCCC12CC3CC(CC)(C1)CC(CC)(C3)C2
InChIInChI=1S/C16H28/c1-4-14-7-13-8-15(5-2,10-14)12-16(6-3,9-13)11-14/h13H,4-12H2,1-3H3
InChIKeyDNVVOGZRZMWYJG-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyladamantane?
The IUPAC name of 1,3,5-triethyladamantane (CID 21415733) is 1,3,5-triethyladamantane.
What is the SMILES notation for 1,3,5-triethyladamantane?
The canonical SMILES for 1,3,5-triethyladamantane is CCC12CC3CC(CC)(C1)CC(CC)(C3)C2.
What is the InChIKey of 1,3,5-triethyladamantane?
The InChIKey is DNVVOGZRZMWYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-4-14-7-13-8-15(5-2,10-14)12-16(6-3,9-13)11-14/h13H,4-12H2,1-3H3.
What are the key properties of 1,3,5-triethyladamantane?
1,3,5-triethyladamantane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyladamantane is sourced from PubChem (CID 21415733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).