1-hexoxyundecan-2-one

C17H34O2 — CID 57063853

IUPAC1-hexoxyundecan-2-one
SMILESCCCCCCCCCC(=O)COCCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-9-10-11-12-14-17(18)16-19-15-13-8-6-4-2/h3-16H2,1-2H3
InChIKeyXGBXNIFKPKYTQO-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.29
Rot. Bonds15

About 1-hexoxyundecan-2-one

1-hexoxyundecan-2-one (PubChem CID 57063853) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-hexoxyundecan-2-one.

Molecular Properties

Compound Name1-hexoxyundecan-2-one
PubChem CID57063853
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-hexoxyundecan-2-one
SMILESCCCCCCCCCC(=O)COCCCCCC
InChIInChI=1S/C17H34O2/c1-3-5-7-9-10-11-12-14-17(18)16-19-15-13-8-6-4-2/h3-16H2,1-2H3
InChIKeyXGBXNIFKPKYTQO-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.29
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

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CID 71375550
1-(2-aminoethoxy)dodecan-2-one
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1-ethoxyhexadecan-2-one
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1-(2-oxopropoxy)decan-4-one
CID 158938156
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
dodecyl-icosyl-methyl-[2-(2-oxoicosoxy)ethyl]azanium
CID 57041046
1-[2-[2-[2-[2-(3-hexylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-2-one
CID 170040713
1-propoxyhenicosan-4-one
CID 157232243
2-pentadecoxyacetic acid
CID 19866534
1-hexadecoxypropan-2-one
CID 15701879
1-methoxydecan-2-one
CID 10352423
2-tridecoxyacetamide
CID 54483018

Frequently Asked Questions

What is the IUPAC name of 1-hexoxyundecan-2-one?
The IUPAC name of 1-hexoxyundecan-2-one (CID 57063853) is 1-hexoxyundecan-2-one.
What is the SMILES notation for 1-hexoxyundecan-2-one?
The canonical SMILES for 1-hexoxyundecan-2-one is CCCCCCCCCC(=O)COCCCCCC.
What is the InChIKey of 1-hexoxyundecan-2-one?
The InChIKey is XGBXNIFKPKYTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2/c1-3-5-7-9-10-11-12-14-17(18)16-19-15-13-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 1-hexoxyundecan-2-one?
1-hexoxyundecan-2-one has a molecular weight of 270.46 g/mol, XLogP of 5.29, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxyundecan-2-one is sourced from PubChem (CID 57063853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).