heptadecane-3,7,11,15-tetrone

C17H28O4 — CID 160942813

IUPACheptadecane-3,7,11,15-tetrone
SMILESCCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CC
InChIInChI=1S/C17H28O4/c1-3-14(18)8-5-10-16(20)12-7-13-17(21)11-6-9-15(19)4-2/h3-13H2,1-2H3
InChIKeySUSOYGCPLMKCEM-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.59
Rot. Bonds14

About heptadecane-3,7,11,15-tetrone

heptadecane-3,7,11,15-tetrone (PubChem CID 160942813) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is heptadecane-3,7,11,15-tetrone.

Molecular Properties

Compound Nameheptadecane-3,7,11,15-tetrone
PubChem CID160942813
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Nameheptadecane-3,7,11,15-tetrone
SMILESCCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CC
InChIInChI=1S/C17H28O4/c1-3-14(18)8-5-10-16(20)12-7-13-17(21)11-6-9-15(19)4-2/h3-13H2,1-2H3
InChIKeySUSOYGCPLMKCEM-UHFFFAOYSA-N
XLogP3.59
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

hexacosane-3,6,9,12,15,18,21,24-octone
CID 175857763
5-oxoheptanamide
CID 54102648
methane;undecane-3,9-dione
CID 158816586
tetracosane-3,13-dione
CID 143607999
pentadecane-2,7,13-trione
CID 154620463
hexadecane-3,6-dione
CID 154449726
1-hydroxydodecane-2,10-dione
CID 158814981
decan-4-one;heptan-3-one
CID 158463149
9-oxoundecanoic acid
CID 5282986
decan-3-one;hydrochloride
CID 22446547
pentadecane-2,13-dione
CID 58143587
3,3-diacetyldecane-2,4,8-trione
CID 141347914

Frequently Asked Questions

What is the IUPAC name of heptadecane-3,7,11,15-tetrone?
The IUPAC name of heptadecane-3,7,11,15-tetrone (CID 160942813) is heptadecane-3,7,11,15-tetrone.
What is the SMILES notation for heptadecane-3,7,11,15-tetrone?
The canonical SMILES for heptadecane-3,7,11,15-tetrone is CCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CC.
What is the InChIKey of heptadecane-3,7,11,15-tetrone?
The InChIKey is SUSOYGCPLMKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-3-14(18)8-5-10-16(20)12-7-13-17(21)11-6-9-15(19)4-2/h3-13H2,1-2H3.
What are the key properties of heptadecane-3,7,11,15-tetrone?
heptadecane-3,7,11,15-tetrone has a molecular weight of 296.41 g/mol, XLogP of 3.59, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecane-3,7,11,15-tetrone is sourced from PubChem (CID 160942813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).