3,11-dimethyldispiro[5.1.58.16]tetradecane

C16H28 — CID 18633626

IUPAC3,11-dimethyldispiro[5.1.58.16]tetradecane
SMILESCC1CCC2(CC1)CC1(CCC(C)CC1)C2
InChIInChI=1S/C16H28/c1-13-3-7-15(8-4-13)11-16(12-15)9-5-14(2)6-10-16/h13-14H,3-12H2,1-2H3
InChIKeyKZHCUDXUAUFYLK-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.17
Rot. Bonds

About 3,11-dimethyldispiro[5.1.58.16]tetradecane

3,11-dimethyldispiro[5.1.58.16]tetradecane (PubChem CID 18633626) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 3,11-dimethyldispiro[5.1.58.16]tetradecane.

Molecular Properties

Compound Name3,11-dimethyldispiro[5.1.58.16]tetradecane
PubChem CID18633626
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name3,11-dimethyldispiro[5.1.58.16]tetradecane
SMILESCC1CCC2(CC1)CC1(CCC(C)CC1)C2
InChIInChI=1S/C16H28/c1-13-3-7-15(8-4-13)11-16(12-15)9-5-14(2)6-10-16/h13-14H,3-12H2,1-2H3
InChIKeyKZHCUDXUAUFYLK-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,11-dimethyldispiro[5.1.58.16]tetradecane?
The IUPAC name of 3,11-dimethyldispiro[5.1.58.16]tetradecane (CID 18633626) is 3,11-dimethyldispiro[5.1.58.16]tetradecane.
What is the SMILES notation for 3,11-dimethyldispiro[5.1.58.16]tetradecane?
The canonical SMILES for 3,11-dimethyldispiro[5.1.58.16]tetradecane is CC1CCC2(CC1)CC1(CCC(C)CC1)C2.
What is the InChIKey of 3,11-dimethyldispiro[5.1.58.16]tetradecane?
The InChIKey is KZHCUDXUAUFYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-13-3-7-15(8-4-13)11-16(12-15)9-5-14(2)6-10-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 3,11-dimethyldispiro[5.1.58.16]tetradecane?
3,11-dimethyldispiro[5.1.58.16]tetradecane has a molecular weight of 220.40 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-dimethyldispiro[5.1.58.16]tetradecane is sourced from PubChem (CID 18633626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).