(4R)-1-(methoxymethoxy)-4-methyldocosane

C25H52O2 — CID 15030408

IUPAC(4R)-1-(methoxymethoxy)-4-methyldocosane
SMILESCCCCCCCCCCCCCCCCCC[C@@H](C)CCCOCOC
InChIInChI=1S/C25H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(2)22-20-23-27-24-26-3/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyADFCZZCRYSHJQX-RUZDIDTESA-N
MW384.69 g/mol
LogP8.67
Rot. Bonds23

About (4R)-1-(methoxymethoxy)-4-methyldocosane

(4R)-1-(methoxymethoxy)-4-methyldocosane (PubChem CID 15030408) has the molecular formula C25H52O2 and a molecular weight of 384.69 g/mol. Its IUPAC name is (4R)-1-(methoxymethoxy)-4-methyldocosane.

Molecular Properties

Compound Name(4R)-1-(methoxymethoxy)-4-methyldocosane
PubChem CID15030408
Molecular FormulaC25H52O2
Molecular Weight384.69 g/mol
Exact Mass384.40
IUPAC Name(4R)-1-(methoxymethoxy)-4-methyldocosane
SMILESCCCCCCCCCCCCCCCCCC[C@@H](C)CCCOCOC
InChIInChI=1S/C25H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(2)22-20-23-27-24-26-3/h25H,4-24H2,1-3H3/t25-/m1/s1
InChIKeyADFCZZCRYSHJQX-RUZDIDTESA-N
XLogP8.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.69
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Diethylhexyl Carbonate
CID 85781
2-Methylundecanal dimethyl acetal
CID 109183
Bis-Propylheptyl Carbonate
CID 87573553
3,3'-(Methylenebis(oxymethylene))bisheptane
CID 89612
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
1,1-Diethoxyisooctane
CID 112252
Isononane, 1,1-diethoxy-
CID 106158
Isotridecane, 1,1'-[(methylheptylidene)bis(oxy)]bis-
CID 172000
Isodecane, (methylidynetris(oxy))tris-
CID 117936
Undecane, 1,1-diethoxy-2-methyl-
CID 106788
1,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)
CID 89243
Carbonic acid, 2-ethylhexyl octadecyl ester
CID 59502822

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(methoxymethoxy)-4-methyldocosane?
The IUPAC name of (4R)-1-(methoxymethoxy)-4-methyldocosane (CID 15030408) is (4R)-1-(methoxymethoxy)-4-methyldocosane.
What is the SMILES notation for (4R)-1-(methoxymethoxy)-4-methyldocosane?
The canonical SMILES for (4R)-1-(methoxymethoxy)-4-methyldocosane is CCCCCCCCCCCCCCCCCC[C@@H](C)CCCOCOC.
What is the InChIKey of (4R)-1-(methoxymethoxy)-4-methyldocosane?
The InChIKey is ADFCZZCRYSHJQX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25(2)22-20-23-27-24-26-3/h25H,4-24H2,1-3H3/t25-/m1/s1.
What are the key properties of (4R)-1-(methoxymethoxy)-4-methyldocosane?
(4R)-1-(methoxymethoxy)-4-methyldocosane has a molecular weight of 384.69 g/mol, XLogP of 8.67, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(methoxymethoxy)-4-methyldocosane is sourced from PubChem (CID 15030408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).