1-ethyl-3,5-dipropyladamantane

C18H32 — CID 609649

IUPAC1-ethyl-3,5-dipropyladamantane
SMILESCCCC12CC3CC(CC)(C1)CC(CCC)(C3)C2
InChIInChI=1S/C18H32/c1-4-7-17-10-15-9-16(6-3,12-17)13-18(11-15,14-17)8-5-2/h15H,4-14H2,1-3H3
InChIKeyOFZCNEUHWGCIDP-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.95
Rot. Bonds5

About 1-ethyl-3,5-dipropyladamantane

1-ethyl-3,5-dipropyladamantane (PubChem CID 609649) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-ethyl-3,5-dipropyladamantane.

Molecular Properties

Compound Name1-ethyl-3,5-dipropyladamantane
PubChem CID609649
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-ethyl-3,5-dipropyladamantane
SMILESCCCC12CC3CC(CC)(C1)CC(CCC)(C3)C2
InChIInChI=1S/C18H32/c1-4-7-17-10-15-9-16(6-3,12-17)13-18(11-15,14-17)8-5-2/h15H,4-14H2,1-3H3
InChIKeyOFZCNEUHWGCIDP-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dipropyladamantane?
The IUPAC name of 1-ethyl-3,5-dipropyladamantane (CID 609649) is 1-ethyl-3,5-dipropyladamantane.
What is the SMILES notation for 1-ethyl-3,5-dipropyladamantane?
The canonical SMILES for 1-ethyl-3,5-dipropyladamantane is CCCC12CC3CC(CC)(C1)CC(CCC)(C3)C2.
What is the InChIKey of 1-ethyl-3,5-dipropyladamantane?
The InChIKey is OFZCNEUHWGCIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-4-7-17-10-15-9-16(6-3,12-17)13-18(11-15,14-17)8-5-2/h15H,4-14H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dipropyladamantane?
1-ethyl-3,5-dipropyladamantane has a molecular weight of 248.45 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dipropyladamantane is sourced from PubChem (CID 609649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).