(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal

C15H30O — CID 10900342

IUPAC(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C=O
InChIInChI=1S/C15H30O/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h11-15H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyQMSOTLXFJWXUCT-KBUPBQIOSA-N
MW226.40 g/mol
LogP4.70
Rot. Bonds9

About (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal

(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal (PubChem CID 10900342) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal.

Molecular Properties

Compound Name(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal
PubChem CID10900342
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal
SMILESCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C=O
InChIInChI=1S/C15H30O/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h11-15H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1
InChIKeyQMSOTLXFJWXUCT-KBUPBQIOSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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3,5,7,9,11,13,15-heptamethyloctadecane
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3,5,7,9-tetramethyldodecane
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2,4,6,8,10-pentamethyltridecane
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potassium;hydride;2-methylpentanal
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2-methylpentanal;propanal
CID 23460116
(2R,4S,6R,8S)-1-iodo-2,4,6,8-tetramethylundecane
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Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal?
The IUPAC name of (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal (CID 10900342) is (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal.
What is the SMILES notation for (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal?
The canonical SMILES for (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal is CCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C=O.
What is the InChIKey of (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal?
The InChIKey is QMSOTLXFJWXUCT-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H30O/c1-6-7-12(2)8-13(3)9-14(4)10-15(5)11-16/h11-15H,6-10H2,1-5H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal?
(2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal has a molecular weight of 226.40 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R,8R)-2,4,6,8-tetramethylundecanal is sourced from PubChem (CID 10900342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).