azane;15-propan-2-yltriacontane-14,17-dione

C33H67NO2 — CID 166691893

IUPACazane;15-propan-2-yltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)CC(C(=O)CCCCCCCCCCCCC)C(C)C.N
InChIInChI=1S/C33H64O2.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(34)29-32(30(3)4)33(35)28-26-24-22-20-18-16-14-12-10-8-6-2;/h30,32H,5-29H2,1-4H3;1H3
InChIKeyHIBWRIHDXGXMCQ-UHFFFAOYSA-N
MW509.90 g/mol
LogP11.35
Rot. Bonds28

About azane;15-propan-2-yltriacontane-14,17-dione

azane;15-propan-2-yltriacontane-14,17-dione (PubChem CID 166691893) has the molecular formula C33H67NO2 and a molecular weight of 509.90 g/mol. Its IUPAC name is azane;15-propan-2-yltriacontane-14,17-dione.

Molecular Properties

Compound Nameazane;15-propan-2-yltriacontane-14,17-dione
PubChem CID166691893
Molecular FormulaC33H67NO2
Molecular Weight509.90 g/mol
Exact Mass509.52
IUPAC Nameazane;15-propan-2-yltriacontane-14,17-dione
SMILESCCCCCCCCCCCCCC(=O)CC(C(=O)CCCCCCCCCCCCC)C(C)C.N
InChIInChI=1S/C33H64O2.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(34)29-32(30(3)4)33(35)28-26-24-22-20-18-16-14-12-10-8-6-2;/h30,32H,5-29H2,1-4H3;1H3
InChIKeyHIBWRIHDXGXMCQ-UHFFFAOYSA-N
XLogP11.35
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.90
LogP ≤ 511.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

15-methyltriacontane-14,17-dione
CID 57233805
2-methylhexadecan-4-one
CID 63411798
2-hydroxyundecan-4-one
CID 57218315
2-hydroxyicosan-3-one
CID 57023276
19-aminooctatriacontane-18,21-dione
CID 163964320
2-methylhexadecane-4,7-dione
CID 57053022
8-propan-2-yldocosan-10-one
CID 172567121
(3S)-2,3-dimethylnonadecan-4-one
CID 174010260
25-methylnonatetracontane-24,26-dione
CID 173069947
2-methylhexadecan-3-one
CID 58030381
12-methylhenicosan-10-one
CID 71761778
5-methyltridecan-7-one
CID 71413449

Frequently Asked Questions

What is the IUPAC name of azane;15-propan-2-yltriacontane-14,17-dione?
The IUPAC name of azane;15-propan-2-yltriacontane-14,17-dione (CID 166691893) is azane;15-propan-2-yltriacontane-14,17-dione.
What is the SMILES notation for azane;15-propan-2-yltriacontane-14,17-dione?
The canonical SMILES for azane;15-propan-2-yltriacontane-14,17-dione is CCCCCCCCCCCCCC(=O)CC(C(=O)CCCCCCCCCCCCC)C(C)C.N.
What is the InChIKey of azane;15-propan-2-yltriacontane-14,17-dione?
The InChIKey is HIBWRIHDXGXMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64O2.H3N/c1-5-7-9-11-13-15-17-19-21-23-25-27-31(34)29-32(30(3)4)33(35)28-26-24-22-20-18-16-14-12-10-8-6-2;/h30,32H,5-29H2,1-4H3;1H3.
What are the key properties of azane;15-propan-2-yltriacontane-14,17-dione?
azane;15-propan-2-yltriacontane-14,17-dione has a molecular weight of 509.90 g/mol, XLogP of 11.35, 28 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;15-propan-2-yltriacontane-14,17-dione is sourced from PubChem (CID 166691893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).