(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane

C19H40O4 — CID 134970307

IUPAC(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane
SMILESCOCOCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CCOCOC
InChIInChI=1S/C19H40O4/c1-16(7-9-22-14-20-5)11-18(3)13-19(4)12-17(2)8-10-23-15-21-6/h16-19H,7-15H2,1-6H3/t16-,17+,18-,19+
InChIKeyZHEAHAIXBJDTNE-QGFMHUBQSA-N
MW332.53 g/mol
LogP4.72
Rot. Bonds16

About (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane

(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane (PubChem CID 134970307) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane.

Molecular Properties

Compound Name(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane
PubChem CID134970307
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane
SMILESCOCOCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CCOCOC
InChIInChI=1S/C19H40O4/c1-16(7-9-22-14-20-5)11-18(3)13-19(4)12-17(2)8-10-23-15-21-6/h16-19H,7-15H2,1-6H3/t16-,17+,18-,19+
InChIKeyZHEAHAIXBJDTNE-QGFMHUBQSA-N
XLogP4.72
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Bis-Propylheptyl Carbonate
CID 87573553
3,3'-(Methylenebis(oxymethylene))bisheptane
CID 89612
Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
Isodecane, (methylidynetris(oxy))tris-
CID 117936
Undecane, 1,1-diethoxy-2-methyl-
CID 106788
Carbonic acid, 2-ethylhexyl octadecyl ester
CID 59502822
Carbonic acid, dodecyl 2-ethylhexyl ester
CID 91693128
Carbonic acid, 2-ethylhexyl tetradecyl ester
CID 91693130
Carbonic acid, 2-ethylhexyl hexadecyl ester
CID 91693165
2-(Diethoxymethyl)-1,1-diethoxyheptane
CID 12402798
2-(Diethoxymethyl)-1,1-diethoxynonane
CID 13660604
Bis(2-hexyldecyl) carbonate
CID 17958724

Frequently Asked Questions

What is the IUPAC name of (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane?
The IUPAC name of (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane (CID 134970307) is (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane.
What is the SMILES notation for (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane?
The canonical SMILES for (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane is COCOCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CCOCOC.
What is the InChIKey of (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane?
The InChIKey is ZHEAHAIXBJDTNE-QGFMHUBQSA-N. The full InChI is InChI=1S/C19H40O4/c1-16(7-9-22-14-20-5)11-18(3)13-19(4)12-17(2)8-10-23-15-21-6/h16-19H,7-15H2,1-6H3/t16-,17+,18-,19+.
What are the key properties of (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane?
(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane has a molecular weight of 332.53 g/mol, XLogP of 4.72, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane is sourced from PubChem (CID 134970307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).