3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one

C19H32O — CID 18633795

IUPAC3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one
SMILESCCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2=O
InChIInChI=1S/C19H32O/c1-3-5-16-8-12-19(13-9-16)14-18(17(19)20)10-6-15(4-2)7-11-18/h15-16H,3-14H2,1-2H3
InChIKeyHHYKPCNWXNEQML-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.52
Rot. Bonds3

About 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one

3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one (PubChem CID 18633795) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one.

Molecular Properties

Compound Name3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one
PubChem CID18633795
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Name3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one
SMILESCCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2=O
InChIInChI=1S/C19H32O/c1-3-5-16-8-12-19(13-9-16)14-18(17(19)20)10-6-15(4-2)7-11-18/h15-16H,3-14H2,1-2H3
InChIKeyHHYKPCNWXNEQML-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one?
The IUPAC name of 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one (CID 18633795) is 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one.
What is the SMILES notation for 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one?
The canonical SMILES for 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one is CCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2=O.
What is the InChIKey of 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one?
The InChIKey is HHYKPCNWXNEQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O/c1-3-5-16-8-12-19(13-9-16)14-18(17(19)20)10-6-15(4-2)7-11-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one?
3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one has a molecular weight of 276.46 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-11-propyldispiro[5.1.58.16]tetradecan-14-one is sourced from PubChem (CID 18633795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).