16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione

C20H30O2 — CID 175059338

IUPAC16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
SMILESCC1C(=O)CCC2C1CCC1C3CCCCC(=O)C3CCC21
InChIInChI=1S/C20H30O2/c1-12-13-6-7-16-14-4-2-3-5-20(22)18(14)9-8-17(16)15(13)10-11-19(12)21/h12-18H,2-11H2,1H3
InChIKeyXDHWFLHXGGYTDD-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.41
Rot. Bonds

About 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione

16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione (PubChem CID 175059338) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione.

Molecular Properties

Compound Name16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
PubChem CID175059338
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione
SMILESCC1C(=O)CCC2C1CCC1C3CCCCC(=O)C3CCC21
InChIInChI=1S/C20H30O2/c1-12-13-6-7-16-14-4-2-3-5-20(22)18(14)9-8-17(16)15(13)10-11-19(12)21/h12-18H,2-11H2,1H3
InChIKeyXDHWFLHXGGYTDD-UHFFFAOYSA-N
XLogP4.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione?
The IUPAC name of 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione (CID 175059338) is 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione.
What is the SMILES notation for 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione?
The canonical SMILES for 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione is CC1C(=O)CCC2C1CCC1C3CCCCC(=O)C3CCC21.
What is the InChIKey of 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione?
The InChIKey is XDHWFLHXGGYTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-12-13-6-7-16-14-4-2-3-5-20(22)18(14)9-8-17(16)15(13)10-11-19(12)21/h12-18H,2-11H2,1H3.
What are the key properties of 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione?
16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione has a molecular weight of 302.46 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyltetracyclo[9.8.0.02,8.012,17]nonadecane-7,15-dione is sourced from PubChem (CID 175059338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).