6-methyl-3-propan-2-ylheptane-2,5-dione

C11H20O2 — CID 90730918

IUPAC6-methyl-3-propan-2-ylheptane-2,5-dione
SMILESCC(=O)C(CC(=O)C(C)C)C(C)C
InChIInChI=1S/C11H20O2/c1-7(2)10(9(5)12)6-11(13)8(3)4/h7-8,10H,6H2,1-5H3
InChIKeyHJBVVXDXNDKHKO-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.46
Rot. Bonds5

About 6-methyl-3-propan-2-ylheptane-2,5-dione

6-methyl-3-propan-2-ylheptane-2,5-dione (PubChem CID 90730918) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 6-methyl-3-propan-2-ylheptane-2,5-dione.

Molecular Properties

Compound Name6-methyl-3-propan-2-ylheptane-2,5-dione
PubChem CID90730918
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name6-methyl-3-propan-2-ylheptane-2,5-dione
SMILESCC(=O)C(CC(=O)C(C)C)C(C)C
InChIInChI=1S/C11H20O2/c1-7(2)10(9(5)12)6-11(13)8(3)4/h7-8,10H,6H2,1-5H3
InChIKeyHJBVVXDXNDKHKO-UHFFFAOYSA-N
XLogP2.46
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-3-heptanone
CID 7822
Ethyl iso-amyl ketone
CID 12210
6-Methyl-2-heptanone
CID 13572
2-Methyl-3-heptanone
CID 25611
2,4-Heptanedione, 6-methyl-
CID 76354
2-Heptanone, 4,6-dimethyl-
CID 89180
3-Methyl-2,4-nonanedione
CID 529481
6,10-Dimethylundecan-2-one
CID 95495
2,6,8-Trimethyl-4-nonanone
CID 61057
4-Methyl-2-heptanone
CID 94317
3-Methyl-4-octanone
CID 4075149
Ketone
CID 110392

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-ylheptane-2,5-dione?
The IUPAC name of 6-methyl-3-propan-2-ylheptane-2,5-dione (CID 90730918) is 6-methyl-3-propan-2-ylheptane-2,5-dione.
What is the SMILES notation for 6-methyl-3-propan-2-ylheptane-2,5-dione?
The canonical SMILES for 6-methyl-3-propan-2-ylheptane-2,5-dione is CC(=O)C(CC(=O)C(C)C)C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-ylheptane-2,5-dione?
The InChIKey is HJBVVXDXNDKHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)10(9(5)12)6-11(13)8(3)4/h7-8,10H,6H2,1-5H3.
What are the key properties of 6-methyl-3-propan-2-ylheptane-2,5-dione?
6-methyl-3-propan-2-ylheptane-2,5-dione has a molecular weight of 184.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-ylheptane-2,5-dione is sourced from PubChem (CID 90730918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).