5-(methoxymethyl)decane

C12H26O — CID 123387036

IUPAC5-(methoxymethyl)decane
SMILESCCCCCC(CCCC)COC
InChIInChI=1S/C12H26O/c1-4-6-8-10-12(11-13-3)9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyRPDXYTYORJPYAX-UHFFFAOYSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds9

About 5-(methoxymethyl)decane

5-(methoxymethyl)decane (PubChem CID 123387036) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 5-(methoxymethyl)decane.

Molecular Properties

Compound Name5-(methoxymethyl)decane
PubChem CID123387036
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name5-(methoxymethyl)decane
SMILESCCCCCC(CCCC)COC
InChIInChI=1S/C12H26O/c1-4-6-8-10-12(11-13-3)9-7-5-2/h12H,4-11H2,1-3H3
InChIKeyRPDXYTYORJPYAX-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

19-(methoxymethyl)heptatriacontane
CID 59499210
5,6-bis(methoxymethyl)undecane
CID 142709817
(8R)-8-(methoxymethyl)-2-methylundecane
CID 118890150
15-(2-tetradecyloctadecoxymethyl)hentriacontane
CID 19909391
7-(nonoxymethyl)pentadecane
CID 86224814
10-(butoxymethyl)henicosane
CID 87840055
6-(heptoxymethyl)tridecane
CID 87840359
9-(tetradecoxymethyl)nonadecane
CID 142746550
5-(ethenoxymethyl)undecane
CID 90318537
1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
6-butylhenicosane
CID 91802566
azane;5-butyldecane
CID 118324151

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)decane?
The IUPAC name of 5-(methoxymethyl)decane (CID 123387036) is 5-(methoxymethyl)decane.
What is the SMILES notation for 5-(methoxymethyl)decane?
The canonical SMILES for 5-(methoxymethyl)decane is CCCCCC(CCCC)COC.
What is the InChIKey of 5-(methoxymethyl)decane?
The InChIKey is RPDXYTYORJPYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-4-6-8-10-12(11-13-3)9-7-5-2/h12H,4-11H2,1-3H3.
What are the key properties of 5-(methoxymethyl)decane?
5-(methoxymethyl)decane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)decane is sourced from PubChem (CID 123387036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).