heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane

C17H22 — CID 90855618

IUPACheptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
SMILESC1C2CC3C1CC1C3C3C4C5CC2CC5C4C13
InChIInChI=1S/C17H22/c1-6-2-9-8(1)5-12-13(9)17-15-11-4-7(6)3-10(11)14(15)16(12)17/h6-17H,1-5H2
InChIKeyFNFFCMCCIQIOIL-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.43
Rot. Bonds

About heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane

heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane (PubChem CID 90855618) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane.

Molecular Properties

Compound Nameheptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
PubChem CID90855618
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Nameheptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane
SMILESC1C2CC3C1CC1C3C3C4C5CC2CC5C4C13
InChIInChI=1S/C17H22/c1-6-2-9-8(1)5-12-13(9)17-15-11-4-7(6)3-10(11)14(15)16(12)17/h6-17H,1-5H2
InChIKeyFNFFCMCCIQIOIL-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane?
The IUPAC name of heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane (CID 90855618) is heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane.
What is the SMILES notation for heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane?
The canonical SMILES for heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane is C1C2CC3C1CC1C3C3C4C5CC2CC5C4C13.
What is the InChIKey of heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane?
The InChIKey is FNFFCMCCIQIOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-6-2-9-8(1)5-12-13(9)17-15-11-4-7(6)3-10(11)14(15)16(12)17/h6-17H,1-5H2.
What are the key properties of heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane?
heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane has a molecular weight of 226.36 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacyclo[8.7.0.02,9.03,7.05,14.011,17.012,16]heptadecane is sourced from PubChem (CID 90855618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).