1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

C16H24 — CID 131862247

IUPAC1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1C2CC3C4CC5CC(C14)C(C2)C3(C)C5
InChIInChI=1S/C16H24/c1-8-10-5-13-11-3-9-4-12(15(8)11)14(6-10)16(13,2)7-9/h8-15H,3-7H2,1-2H3
InChIKeyKJQHYTXIHNYVSZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.96
Rot. Bonds

About 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (PubChem CID 131862247) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.

Molecular Properties

Compound Name1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
PubChem CID131862247
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
SMILESCC1C2CC3C4CC5CC(C14)C(C2)C3(C)C5
InChIInChI=1S/C16H24/c1-8-10-5-13-11-3-9-4-12(15(8)11)14(6-10)16(13,2)7-9/h8-15H,3-7H2,1-2H3
InChIKeyKJQHYTXIHNYVSZ-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The IUPAC name of 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane (CID 131862247) is 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane.
What is the SMILES notation for 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The canonical SMILES for 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is CC1C2CC3C4CC5CC(C14)C(C2)C3(C)C5.
What is the InChIKey of 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
The InChIKey is KJQHYTXIHNYVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-8-10-5-13-11-3-9-4-12(15(8)11)14(6-10)16(13,2)7-9/h8-15H,3-7H2,1-2H3.
What are the key properties of 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane?
1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane has a molecular weight of 216.37 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane is sourced from PubChem (CID 131862247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).