8-methyl-1-phenyl-7-propan-2-ylnonan-3-one

C19H30O — CID 167622753

IUPAC8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
SMILESCC(C)C(CCCC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C19H30O/c1-15(2)19(16(3)4)12-8-11-18(20)14-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,19H,8,11-14H2,1-4H3
InChIKeySJZINVDIQXICOG-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.29
Rot. Bonds9

About 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one

8-methyl-1-phenyl-7-propan-2-ylnonan-3-one (PubChem CID 167622753) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one.

Molecular Properties

Compound Name8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
PubChem CID167622753
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name8-methyl-1-phenyl-7-propan-2-ylnonan-3-one
SMILESCC(C)C(CCCC(=O)CCc1ccccc1)C(C)C
InChIInChI=1S/C19H30O/c1-15(2)19(16(3)4)12-8-11-18(20)14-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,19H,8,11-14H2,1-4H3
InChIKeySJZINVDIQXICOG-UHFFFAOYSA-N
XLogP5.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one?
The IUPAC name of 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one (CID 167622753) is 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one.
What is the SMILES notation for 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one?
The canonical SMILES for 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one is CC(C)C(CCCC(=O)CCc1ccccc1)C(C)C.
What is the InChIKey of 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one?
The InChIKey is SJZINVDIQXICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-15(2)19(16(3)4)12-8-11-18(20)14-13-17-9-6-5-7-10-17/h5-7,9-10,15-16,19H,8,11-14H2,1-4H3.
What are the key properties of 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one?
8-methyl-1-phenyl-7-propan-2-ylnonan-3-one has a molecular weight of 274.45 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenyl-7-propan-2-ylnonan-3-one is sourced from PubChem (CID 167622753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).