1,3-diethyladamantane

C14H24 — CID 520173

IUPAC1,3-diethyladamantane
SMILESCCC12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H24/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h11-12H,3-10H2,1-2H3
InChIKeyXHQDEOWLMBIVBU-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.39
Rot. Bonds2

About 1,3-diethyladamantane

1,3-diethyladamantane (PubChem CID 520173) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1,3-diethyladamantane.

Molecular Properties

Compound Name1,3-diethyladamantane
PubChem CID520173
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1,3-diethyladamantane
SMILESCCC12CC3CC(C1)CC(CC)(C3)C2
InChIInChI=1S/C14H24/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h11-12H,3-10H2,1-2H3
InChIKeyXHQDEOWLMBIVBU-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyladamantane?
The IUPAC name of 1,3-diethyladamantane (CID 520173) is 1,3-diethyladamantane.
What is the SMILES notation for 1,3-diethyladamantane?
The canonical SMILES for 1,3-diethyladamantane is CCC12CC3CC(C1)CC(CC)(C3)C2.
What is the InChIKey of 1,3-diethyladamantane?
The InChIKey is XHQDEOWLMBIVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-13-6-11-5-12(7-13)9-14(4-2,8-11)10-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 1,3-diethyladamantane?
1,3-diethyladamantane has a molecular weight of 192.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyladamantane is sourced from PubChem (CID 520173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).