heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane

C15H18 — CID 90702392

IUPACheptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane
SMILESC1C2CC34CC5C3C2CC2C1C1C2C51C4
InChIInChI=1S/C15H18/c1-6-3-14-4-10-11(14)7(6)2-9-8(1)12-13(9)15(10,12)5-14/h6-13H,1-5H2
InChIKeyGCUVIPZLDCXFHV-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.93
Rot. Bonds

About heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane

heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane (PubChem CID 90702392) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane.

Molecular Properties

Compound Nameheptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane
PubChem CID90702392
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Nameheptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane
SMILESC1C2CC34CC5C3C2CC2C1C1C2C51C4
InChIInChI=1S/C15H18/c1-6-3-14-4-10-11(14)7(6)2-9-8(1)12-13(9)15(10,12)5-14/h6-13H,1-5H2
InChIKeyGCUVIPZLDCXFHV-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane?
The IUPAC name of heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane (CID 90702392) is heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane.
What is the SMILES notation for heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane?
The canonical SMILES for heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane is C1C2CC34CC5C3C2CC2C1C1C2C51C4.
What is the InChIKey of heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane?
The InChIKey is GCUVIPZLDCXFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-6-3-14-4-10-11(14)7(6)2-9-8(1)12-13(9)15(10,12)5-14/h6-13H,1-5H2.
What are the key properties of heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane?
heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane has a molecular weight of 198.31 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[7.5.1.01,7.02,14.03,13.05,11.06,9]pentadecane is sourced from PubChem (CID 90702392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).