5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane

C20H32 — CID 521405

IUPAC5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
SMILESCC1(C)CCCC2(C)C1CCC13CC4C(CC12)C4(C)C3
InChIInChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3
InChIKeyJTJZAWZRQPNBLR-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.67
Rot. Bonds

About 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane

5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane (PubChem CID 521405) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane.

Molecular Properties

Compound Name5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
PubChem CID521405
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
SMILESCC1(C)CCCC2(C)C1CCC13CC4C(CC12)C4(C)C3
InChIInChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3
InChIKeyJTJZAWZRQPNBLR-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane?
The IUPAC name of 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane (CID 521405) is 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane.
What is the SMILES notation for 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane?
The canonical SMILES for 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane is CC1(C)CCCC2(C)C1CCC13CC4C(CC12)C4(C)C3.
What is the InChIKey of 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane?
The InChIKey is JTJZAWZRQPNBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3.
What are the key properties of 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane?
5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane has a molecular weight of 272.48 g/mol, XLogP of 5.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane is sourced from PubChem (CID 521405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).