11-(methoxymethoxy)undecan-2-one

C13H26O3 — CID 10955382

IUPAC11-(methoxymethoxy)undecan-2-one
SMILESCOCOCCCCCCCCCC(C)=O
InChIInChI=1S/C13H26O3/c1-13(14)10-8-6-4-3-5-7-9-11-16-12-15-2/h3-12H2,1-2H3
InChIKeyGYMFLYNBYUEWDI-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.32
Rot. Bonds12

About 11-(methoxymethoxy)undecan-2-one

11-(methoxymethoxy)undecan-2-one (PubChem CID 10955382) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 11-(methoxymethoxy)undecan-2-one.

Molecular Properties

Compound Name11-(methoxymethoxy)undecan-2-one
PubChem CID10955382
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name11-(methoxymethoxy)undecan-2-one
SMILESCOCOCCCCCCCCCC(C)=O
InChIInChI=1S/C13H26O3/c1-13(14)10-8-6-4-3-5-7-9-11-16-12-15-2/h3-12H2,1-2H3
InChIKeyGYMFLYNBYUEWDI-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-(Tetrahydro-pyran-2-yloxy)-octan-2-one
CID 15595177
Ethoxycarbonyl Octanoate
CID 10910940
8,8-Dimethoxyoctanal
CID 11008678
2-Heptanone, 7,7-dimethoxy-
CID 11030320
13,15-Dioxahexadecanal
CID 11746881
8-(Methoxymethoxy)octanal
CID 13319193
3-(Ethoxymethoxy)octan-2-one
CID 88003595
1,1,1-Trifluoro-8-(methoxymethoxy)octan-2-one
CID 89244118
2-Nonanone, 9-methoxy
CID 547054
9-Methoxy-4-nonanone
CID 551371
Dodecanal, 12,12-dimethoxy-
CID 11459205
1,1-Dimethoxyoctadecan-9-one
CID 53780606

Frequently Asked Questions

What is the IUPAC name of 11-(methoxymethoxy)undecan-2-one?
The IUPAC name of 11-(methoxymethoxy)undecan-2-one (CID 10955382) is 11-(methoxymethoxy)undecan-2-one.
What is the SMILES notation for 11-(methoxymethoxy)undecan-2-one?
The canonical SMILES for 11-(methoxymethoxy)undecan-2-one is COCOCCCCCCCCCC(C)=O.
What is the InChIKey of 11-(methoxymethoxy)undecan-2-one?
The InChIKey is GYMFLYNBYUEWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-13(14)10-8-6-4-3-5-7-9-11-16-12-15-2/h3-12H2,1-2H3.
What are the key properties of 11-(methoxymethoxy)undecan-2-one?
11-(methoxymethoxy)undecan-2-one has a molecular weight of 230.35 g/mol, XLogP of 3.32, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(methoxymethoxy)undecan-2-one is sourced from PubChem (CID 10955382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).