7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

C15H20O3 — CID 14081882

IUPAC7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)C2CC=C3C(=O)OC(O)C4CCC1C34C2
InChIInChI=1S/C15H20O3/c1-14(2)8-3-4-9-12(16)18-13(17)10-5-6-11(14)15(9,10)7-8/h4,8,10-11,13,17H,3,5-7H2,1-2H3
InChIKeyIKHDDOCXVPLQIO-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.25
Rot. Bonds

About 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (PubChem CID 14081882) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.

Molecular Properties

Compound Name7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
PubChem CID14081882
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)C2CC=C3C(=O)OC(O)C4CCC1C34C2
InChIInChI=1S/C15H20O3/c1-14(2)8-3-4-9-12(16)18-13(17)10-5-6-11(14)15(9,10)7-8/h4,8,10-11,13,17H,3,5-7H2,1-2H3
InChIKeyIKHDDOCXVPLQIO-UHFFFAOYSA-N
XLogP2.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The IUPAC name of 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (CID 14081882) is 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.
What is the SMILES notation for 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The canonical SMILES for 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is CC1(C)C2CC=C3C(=O)OC(O)C4CCC1C34C2.
What is the InChIKey of 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The InChIKey is IKHDDOCXVPLQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-14(2)8-3-4-9-12(16)18-13(17)10-5-6-11(14)15(9,10)7-8/h4,8,10-11,13,17H,3,5-7H2,1-2H3.
What are the key properties of 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one has a molecular weight of 248.32 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is sourced from PubChem (CID 14081882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).