1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane

C16H26 — CID 163964283

IUPAC1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane
SMILESCC12CCCCCC(C)(C1)C13CCCC21C3
InChIInChI=1S/C16H26/c1-13-7-4-3-5-8-14(2,11-13)16-10-6-9-15(13,16)12-16/h3-12H2,1-2H3
InChIKeySKHBLKDSFITVTJ-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds

About 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane

1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane (PubChem CID 163964283) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane.

Molecular Properties

Compound Name1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane
PubChem CID163964283
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane
SMILESCC12CCCCCC(C)(C1)C13CCCC21C3
InChIInChI=1S/C16H26/c1-13-7-4-3-5-8-14(2,11-13)16-10-6-9-15(13,16)12-16/h3-12H2,1-2H3
InChIKeySKHBLKDSFITVTJ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane?
The IUPAC name of 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane (CID 163964283) is 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane.
What is the SMILES notation for 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane?
The canonical SMILES for 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane is CC12CCCCCC(C)(C1)C13CCCC21C3.
What is the InChIKey of 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane?
The InChIKey is SKHBLKDSFITVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-13-7-4-3-5-8-14(2,11-13)16-10-6-9-15(13,16)12-16/h3-12H2,1-2H3.
What are the key properties of 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane?
1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane has a molecular weight of 218.38 g/mol, XLogP of 4.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyltetracyclo[5.5.1.12,6.02,6]tetradecane is sourced from PubChem (CID 163964283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).