heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one

C82H164O7 — CID 163962399

IUPACheptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
SMILESCCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O.CCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/2C17H34O2.C17H34O.C16H32O.C15H30O/c1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h2*17,19H,3-15H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3
InChIKeySIQYXFQRVOYYIU-UHFFFAOYSA-N
MW1262.21 g/mol
LogP27.05
Rot. Bonds67

About heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one

heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one (PubChem CID 163962399) has the molecular formula C82H164O7 and a molecular weight of 1262.21 g/mol. Its IUPAC name is heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one.

Molecular Properties

Compound Nameheptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
PubChem CID163962399
Molecular FormulaC82H164O7
Molecular Weight1262.21 g/mol
Exact Mass1261.25
IUPAC Nameheptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
SMILESCCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O.CCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/2C17H34O2.C17H34O.C16H32O.C15H30O/c1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h2*17,19H,3-15H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3
InChIKeySIQYXFQRVOYYIU-UHFFFAOYSA-N
XLogP27.05
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds67
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001262.21
LogP ≤ 527.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-hydroxynonadecan-2-one
CID 15922920
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
10,13-dihydroxynonadecan-2-one
CID 164804782
13-hydroxyheptadecan-2-one
CID 164804784
11-hydroxytridecan-2-one
CID 11687152
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one?
The IUPAC name of heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one (CID 163962399) is heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one.
What is the SMILES notation for heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one?
The canonical SMILES for heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one is CCCCCCC(O)CCCCCCCCC(C)=O.CCCCCCCC(O)CCCCCCCC(C)=O.CCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCC(C)=O.CCCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one?
The InChIKey is SIQYXFQRVOYYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H34O2.C17H34O.C16H32O.C15H30O/c1-3-4-5-11-14-17(19)15-12-9-7-6-8-10-13-16(2)18;1-3-4-5-7-11-14-17(19)15-12-9-6-8-10-13-16(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17;1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h2*17,19H,3-15H2,1-2H3;3-16H2,1-2H3;3-15H2,1-2H3;3-14H2,1-2H3.
What are the key properties of heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one?
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one has a molecular weight of 1262.21 g/mol, XLogP of 27.05, 67 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one is sourced from PubChem (CID 163962399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).