3,11-diethoxydispiro[5.1.58.16]tetradecane

C18H32O2 — CID 18633591

IUPAC3,11-diethoxydispiro[5.1.58.16]tetradecane
SMILESCCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2
InChIInChI=1S/C18H32O2/c1-3-19-15-5-9-17(10-6-15)13-18(14-17)11-7-16(8-12-18)20-4-2/h15-16H,3-14H2,1-2H3
InChIKeyZMGAKYYCWJUVEY-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.71
Rot. Bonds4

About 3,11-diethoxydispiro[5.1.58.16]tetradecane

3,11-diethoxydispiro[5.1.58.16]tetradecane (PubChem CID 18633591) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 3,11-diethoxydispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3,11-diethoxydispiro[5.1.58.16]tetradecane
PubChem CID18633591
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name3,11-diethoxydispiro[5.1.58.16]tetradecane
SMILESCCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2
InChIInChI=1S/C18H32O2/c1-3-19-15-5-9-17(10-6-15)13-18(14-17)11-7-16(8-12-18)20-4-2/h15-16H,3-14H2,1-2H3
InChIKeyZMGAKYYCWJUVEY-UHFFFAOYSA-N
XLogP4.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,11-diethoxydispiro[5.1.58.16]tetradecane?
The IUPAC name of 3,11-diethoxydispiro[5.1.58.16]tetradecane (CID 18633591) is 3,11-diethoxydispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3,11-diethoxydispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3,11-diethoxydispiro[5.1.58.16]tetradecane is CCOC1CCC2(CC1)CC1(CCC(OCC)CC1)C2.
What is the InChIKey of 3,11-diethoxydispiro[5.1.58.16]tetradecane?
The InChIKey is ZMGAKYYCWJUVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-3-19-15-5-9-17(10-6-15)13-18(14-17)11-7-16(8-12-18)20-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 3,11-diethoxydispiro[5.1.58.16]tetradecane?
3,11-diethoxydispiro[5.1.58.16]tetradecane has a molecular weight of 280.45 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diethoxydispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).