2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol

C17H36O3 — CID 23404669

IUPAC2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol
SMILESCCCC(C)C(O)C(C)CC(C)C(O)C(C)C(C)OC
InChIInChI=1S/C17H36O3/c1-8-9-11(2)16(18)12(3)10-13(4)17(19)14(5)15(6)20-7/h11-19H,8-10H2,1-7H3
InChIKeyNIKDJEQEBDAJCT-UHFFFAOYSA-N
MW288.47 g/mol
LogP3.48
Rot. Bonds10

About 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol

2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol (PubChem CID 23404669) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol.

Molecular Properties

Compound Name2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol
PubChem CID23404669
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol
SMILESCCCC(C)C(O)C(C)CC(C)C(O)C(C)C(C)OC
InChIInChI=1S/C17H36O3/c1-8-9-11(2)16(18)12(3)10-13(4)17(19)14(5)15(6)20-7/h11-19H,8-10H2,1-7H3
InChIKeyNIKDJEQEBDAJCT-UHFFFAOYSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-3-methylhexan-2-ol
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(5S,6S,7R,8R)-5,7-dimethyltridecane-6,8-diol
CID 102436924
2,4-dimethyl-6-propylnonan-5-ol
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4-methoxy-2-methylheptan-3-ol
CID 116711593
(3S,4R,5R,6S,7S,8R)-3-methoxy-4,6,8-trimethyl-1-phenylmethoxyundecane-5,7-diol
CID 53248568
methyl 3-hydroxy-4-methylheptanoate
CID 14280456
ethyl 2-amino-3-hydroxy-4-methylheptanoate
CID 66206751
2-amino-4-methylheptane-1,3-diol
CID 66204531
4-(aminomethyl)-6-methylnonan-5-ol
CID 79412297

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol?
The IUPAC name of 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol (CID 23404669) is 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol.
What is the SMILES notation for 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol?
The canonical SMILES for 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol is CCCC(C)C(O)C(C)CC(C)C(O)C(C)C(C)OC.
What is the InChIKey of 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol?
The InChIKey is NIKDJEQEBDAJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-8-9-11(2)16(18)12(3)10-13(4)17(19)14(5)15(6)20-7/h11-19H,8-10H2,1-7H3.
What are the key properties of 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol?
2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol has a molecular weight of 288.47 g/mol, XLogP of 3.48, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,5,7,9-tetramethyldodecane-4,8-diol is sourced from PubChem (CID 23404669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).