11-butyl-3-ethyldispiro[5.1.58.16]tetradecane

C20H36 — CID 18633775

IUPAC11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
SMILESCCCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2
InChIInChI=1S/C20H36/c1-3-5-6-18-9-13-20(14-10-18)15-19(16-20)11-7-17(4-2)8-12-19/h17-18H,3-16H2,1-2H3
InChIKeyJGARMFZPFXFSRH-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.73
Rot. Bonds4

About 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane

11-butyl-3-ethyldispiro[5.1.58.16]tetradecane (PubChem CID 18633775) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
PubChem CID18633775
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name11-butyl-3-ethyldispiro[5.1.58.16]tetradecane
SMILESCCCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2
InChIInChI=1S/C20H36/c1-3-5-6-18-9-13-20(14-10-18)15-19(16-20)11-7-17(4-2)8-12-19/h17-18H,3-16H2,1-2H3
InChIKeyJGARMFZPFXFSRH-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane?
The IUPAC name of 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane (CID 18633775) is 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane?
The canonical SMILES for 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane is CCCCC1CCC2(CC1)CC1(CCC(CC)CC1)C2.
What is the InChIKey of 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane?
The InChIKey is JGARMFZPFXFSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-6-18-9-13-20(14-10-18)15-19(16-20)11-7-17(4-2)8-12-19/h17-18H,3-16H2,1-2H3.
What are the key properties of 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane?
11-butyl-3-ethyldispiro[5.1.58.16]tetradecane has a molecular weight of 276.51 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-3-ethyldispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).