4-methoxypentadecan-5-one

C16H32O2 — CID 116708152

IUPAC4-methoxypentadecan-5-one
SMILESCCCCCCCCCCC(=O)C(CCC)OC
InChIInChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-14-15(17)16(18-3)13-5-2/h16H,4-14H2,1-3H3
InChIKeyRDPPABVMAYDJRK-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.90
Rot. Bonds13

About 4-methoxypentadecan-5-one

4-methoxypentadecan-5-one (PubChem CID 116708152) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-methoxypentadecan-5-one.

Molecular Properties

Compound Name4-methoxypentadecan-5-one
PubChem CID116708152
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name4-methoxypentadecan-5-one
SMILESCCCCCCCCCCC(=O)C(CCC)OC
InChIInChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-14-15(17)16(18-3)13-5-2/h16H,4-14H2,1-3H3
InChIKeyRDPPABVMAYDJRK-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-oxooctadecanoate
CID 620002
1-Ethoxy-2-heptanone
CID 39913
11-Hydroxy-10-icosanone
CID 107283
10-Hydroxyoctadecan-9-one
CID 107286
Hexadecanoic acid, 2-oxo-, methyl ester
CID 545549
(3S)-3-hydroxyhexadecan-4-one
CID 57401955
methyl (2R)-2-methoxyhexadecanoate
CID 11781573
Acyloin
CID 162822
Methyl 2-methoxyhexadecanoate
CID 617760
alpha-Ketostearic acid, ethyl ester
CID 619996
Methyl methoxystearate
CID 20462390
9-Hydroxyhexadecan-8-one
CID 107284

Frequently Asked Questions

What is the IUPAC name of 4-methoxypentadecan-5-one?
The IUPAC name of 4-methoxypentadecan-5-one (CID 116708152) is 4-methoxypentadecan-5-one.
What is the SMILES notation for 4-methoxypentadecan-5-one?
The canonical SMILES for 4-methoxypentadecan-5-one is CCCCCCCCCCC(=O)C(CCC)OC.
What is the InChIKey of 4-methoxypentadecan-5-one?
The InChIKey is RDPPABVMAYDJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-14-15(17)16(18-3)13-5-2/h16H,4-14H2,1-3H3.
What are the key properties of 4-methoxypentadecan-5-one?
4-methoxypentadecan-5-one has a molecular weight of 256.43 g/mol, XLogP of 4.90, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxypentadecan-5-one is sourced from PubChem (CID 116708152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).