5,6-bis(methoxymethyl)undecane

C15H32O2 — CID 142709817

IUPAC5,6-bis(methoxymethyl)undecane
SMILESCCCCCC(COC)C(CCCC)COC
InChIInChI=1S/C15H32O2/c1-5-7-9-11-15(13-17-4)14(12-16-3)10-8-6-2/h14-15H,5-13H2,1-4H3
InChIKeyRSHDTGCECKJMKX-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds12

About 5,6-bis(methoxymethyl)undecane

5,6-bis(methoxymethyl)undecane (PubChem CID 142709817) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 5,6-bis(methoxymethyl)undecane.

Molecular Properties

Compound Name5,6-bis(methoxymethyl)undecane
PubChem CID142709817
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name5,6-bis(methoxymethyl)undecane
SMILESCCCCCC(COC)C(CCCC)COC
InChIInChI=1S/C15H32O2/c1-5-7-9-11-15(13-17-4)14(12-16-3)10-8-6-2/h14-15H,5-13H2,1-4H3
InChIKeyRSHDTGCECKJMKX-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
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

4,5-bis(methoxymethyl)-2,2-dimethylnonane
CID 142709822
5-(methoxymethyl)decane
CID 123387036
8,9-dibutylhexadecane
CID 530025
19-(methoxymethyl)heptatriacontane
CID 59499210
1-methoxy-2-methyldecane
CID 13444249
1-methoxy-2,12-dimethyldocosane
CID 91752253
8-(methoxymethyl)-2,6,7-trimethyl-5-propyldodecane
CID 172616922
[1-methoxy-3-(methoxymethyl)nonan-2-yl]cyclopentane
CID 142709832
9,10-dioctylhexacosane
CID 21470284
7,8-dihexylicosane
CID 21490611
1-methoxy-8,14,20-trimethylnonacosane
CID 155293079
(3R)-8-(methoxymethyl)-3,7-dimethyl-6-propyldodecane
CID 172616679

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(methoxymethyl)undecane?
The IUPAC name of 5,6-bis(methoxymethyl)undecane (CID 142709817) is 5,6-bis(methoxymethyl)undecane.
What is the SMILES notation for 5,6-bis(methoxymethyl)undecane?
The canonical SMILES for 5,6-bis(methoxymethyl)undecane is CCCCCC(COC)C(CCCC)COC.
What is the InChIKey of 5,6-bis(methoxymethyl)undecane?
The InChIKey is RSHDTGCECKJMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-5-7-9-11-15(13-17-4)14(12-16-3)10-8-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of 5,6-bis(methoxymethyl)undecane?
5,6-bis(methoxymethyl)undecane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(methoxymethyl)undecane is sourced from PubChem (CID 142709817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).