(2-methyl-4-oxopentadecan-2-yl) formate

C17H32O3 — CID 54161146

IUPAC(2-methyl-4-oxopentadecan-2-yl) formate
SMILESCCCCCCCCCCCC(=O)CC(C)(C)OC=O
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-16(19)14-17(2,3)20-15-18/h15H,4-14H2,1-3H3
InChIKeyNIQDTBWMNXPRGT-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.82
Rot. Bonds14

About (2-methyl-4-oxopentadecan-2-yl) formate

(2-methyl-4-oxopentadecan-2-yl) formate (PubChem CID 54161146) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2-methyl-4-oxopentadecan-2-yl) formate.

Molecular Properties

Compound Name(2-methyl-4-oxopentadecan-2-yl) formate
PubChem CID54161146
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2-methyl-4-oxopentadecan-2-yl) formate
SMILESCCCCCCCCCCCC(=O)CC(C)(C)OC=O
InChIInChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-16(19)14-17(2,3)20-15-18/h15H,4-14H2,1-3H3
InChIKeyNIQDTBWMNXPRGT-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dihydroxyhexacosan-4-one
CID 141351870
3,3-dimethyl-5-oxodecanal
CID 90972879
formic acid;henicosane-7,12-dione
CID 175044766
1,1,1-trifluoroundecan-3-one
CID 62620056
1,1,1-trifluorotridecan-3-one
CID 14914275
pentacosane-7,19-dione
CID 139254510
nonatriacontane-8,29-dione
CID 150237018
nonadecan-7-one
CID 12913434
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
pentacosan-7-one
CID 54551687

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-oxopentadecan-2-yl) formate?
The IUPAC name of (2-methyl-4-oxopentadecan-2-yl) formate (CID 54161146) is (2-methyl-4-oxopentadecan-2-yl) formate.
What is the SMILES notation for (2-methyl-4-oxopentadecan-2-yl) formate?
The canonical SMILES for (2-methyl-4-oxopentadecan-2-yl) formate is CCCCCCCCCCCC(=O)CC(C)(C)OC=O.
What is the InChIKey of (2-methyl-4-oxopentadecan-2-yl) formate?
The InChIKey is NIQDTBWMNXPRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-4-5-6-7-8-9-10-11-12-13-16(19)14-17(2,3)20-15-18/h15H,4-14H2,1-3H3.
What are the key properties of (2-methyl-4-oxopentadecan-2-yl) formate?
(2-methyl-4-oxopentadecan-2-yl) formate has a molecular weight of 284.44 g/mol, XLogP of 4.82, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-oxopentadecan-2-yl) formate is sourced from PubChem (CID 54161146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).