nonadecane-2,6,10,14,18-pentone

C19H30O5 — CID 539058

IUPACnonadecane-2,6,10,14,18-pentone
SMILESCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O
InChIInChI=1S/C19H30O5/c1-15(20)7-3-9-17(22)11-5-13-19(24)14-6-12-18(23)10-4-8-16(2)21/h3-14H2,1-2H3
InChIKeyVQPSDLYTLUKWCM-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.55
Rot. Bonds16

About nonadecane-2,6,10,14,18-pentone

nonadecane-2,6,10,14,18-pentone (PubChem CID 539058) has the molecular formula C19H30O5 and a molecular weight of 338.44 g/mol. Its IUPAC name is nonadecane-2,6,10,14,18-pentone.

Molecular Properties

Compound Namenonadecane-2,6,10,14,18-pentone
PubChem CID539058
Molecular FormulaC19H30O5
Molecular Weight338.44 g/mol
Exact Mass338.21
IUPAC Namenonadecane-2,6,10,14,18-pentone
SMILESCC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O
InChIInChI=1S/C19H30O5/c1-15(20)7-3-9-17(22)11-5-13-19(24)14-6-12-18(23)10-4-8-16(2)21/h3-14H2,1-2H3
InChIKeyVQPSDLYTLUKWCM-UHFFFAOYSA-N
XLogP3.55
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tricosane-2,6,10,14,18,22-hexone
CID 537144
decane-4,7-dione;dodecane-4,9-dione;octane-2,7-dione;undecane-4,8-dione
CID 91087282
1-hydroxyoctane-2,7-dione
CID 19604643
pentadecane-2,7,13-trione
CID 154620463
4,9-dioxodecanoic acid
CID 87255764
pentadecane-2,7-dione
CID 15360002
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
tridecane-2,6,8-trione
CID 154620495
2,4,8-trioxononanoic acid
CID 89306169
pentadecane-2,13-dione
CID 58143587
14-methylpentadecane-2,8-dione
CID 159096890

Frequently Asked Questions

What is the IUPAC name of nonadecane-2,6,10,14,18-pentone?
The IUPAC name of nonadecane-2,6,10,14,18-pentone (CID 539058) is nonadecane-2,6,10,14,18-pentone.
What is the SMILES notation for nonadecane-2,6,10,14,18-pentone?
The canonical SMILES for nonadecane-2,6,10,14,18-pentone is CC(=O)CCCC(=O)CCCC(=O)CCCC(=O)CCCC(C)=O.
What is the InChIKey of nonadecane-2,6,10,14,18-pentone?
The InChIKey is VQPSDLYTLUKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5/c1-15(20)7-3-9-17(22)11-5-13-19(24)14-6-12-18(23)10-4-8-16(2)21/h3-14H2,1-2H3.
What are the key properties of nonadecane-2,6,10,14,18-pentone?
nonadecane-2,6,10,14,18-pentone has a molecular weight of 338.44 g/mol, XLogP of 3.55, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecane-2,6,10,14,18-pentone is sourced from PubChem (CID 539058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).