12-methyltricyclo[14.2.2.11,4]henicosane

C22H40 — CID 163993467

IUPAC12-methyltricyclo[14.2.2.11,4]henicosane
SMILESCC1CCCCCCCC2CCC3(CCC(CCC1)CC3)C2
InChIInChI=1S/C22H40/c1-19-8-5-3-2-4-6-10-21-14-17-22(18-21)15-12-20(13-16-22)11-7-9-19/h19-21H,2-18H2,1H3
InChIKeyUCQMGXULZCFBSV-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.51
Rot. Bonds

About 12-methyltricyclo[14.2.2.11,4]henicosane

12-methyltricyclo[14.2.2.11,4]henicosane (PubChem CID 163993467) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 12-methyltricyclo[14.2.2.11,4]henicosane.

Molecular Properties

Compound Name12-methyltricyclo[14.2.2.11,4]henicosane
PubChem CID163993467
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name12-methyltricyclo[14.2.2.11,4]henicosane
SMILESCC1CCCCCCCC2CCC3(CCC(CCC1)CC3)C2
InChIInChI=1S/C22H40/c1-19-8-5-3-2-4-6-10-21-14-17-22(18-21)15-12-20(13-16-22)11-7-9-19/h19-21H,2-18H2,1H3
InChIKeyUCQMGXULZCFBSV-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 12-methyltricyclo[14.2.2.11,4]henicosane?
The IUPAC name of 12-methyltricyclo[14.2.2.11,4]henicosane (CID 163993467) is 12-methyltricyclo[14.2.2.11,4]henicosane.
What is the SMILES notation for 12-methyltricyclo[14.2.2.11,4]henicosane?
The canonical SMILES for 12-methyltricyclo[14.2.2.11,4]henicosane is CC1CCCCCCCC2CCC3(CCC(CCC1)CC3)C2.
What is the InChIKey of 12-methyltricyclo[14.2.2.11,4]henicosane?
The InChIKey is UCQMGXULZCFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-19-8-5-3-2-4-6-10-21-14-17-22(18-21)15-12-20(13-16-22)11-7-9-19/h19-21H,2-18H2,1H3.
What are the key properties of 12-methyltricyclo[14.2.2.11,4]henicosane?
12-methyltricyclo[14.2.2.11,4]henicosane has a molecular weight of 304.56 g/mol, XLogP of 7.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methyltricyclo[14.2.2.11,4]henicosane is sourced from PubChem (CID 163993467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).