9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one

C16H18O2 — CID 15309815

IUPAC9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one
SMILESCC1(C)C2CCC13C(=O)c1ccccc1C3(O)C2
InChIInChI=1S/C16H18O2/c1-14(2)10-7-8-15(14)13(17)11-5-3-4-6-12(11)16(15,18)9-10/h3-6,10,18H,7-9H2,1-2H3
InChIKeyTWIGTMWAZGPHAC-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.90
Rot. Bonds

About 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one

9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one (PubChem CID 15309815) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one.

Molecular Properties

Compound Name9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one
PubChem CID15309815
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one
SMILESCC1(C)C2CCC13C(=O)c1ccccc1C3(O)C2
InChIInChI=1S/C16H18O2/c1-14(2)10-7-8-15(14)13(17)11-5-3-4-6-12(11)16(15,18)9-10/h3-6,10,18H,7-9H2,1-2H3
InChIKeyTWIGTMWAZGPHAC-UHFFFAOYSA-N
XLogP2.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one?
The IUPAC name of 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one (CID 15309815) is 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one.
What is the SMILES notation for 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one?
The canonical SMILES for 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one is CC1(C)C2CCC13C(=O)c1ccccc1C3(O)C2.
What is the InChIKey of 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one?
The InChIKey is TWIGTMWAZGPHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-14(2)10-7-8-15(14)13(17)11-5-3-4-6-12(11)16(15,18)9-10/h3-6,10,18H,7-9H2,1-2H3.
What are the key properties of 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one?
9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-14,14-dimethyltetracyclo[9.2.1.01,9.03,8]tetradeca-3,5,7-trien-2-one is sourced from PubChem (CID 15309815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).