3-hydroxy-4,4,7,7-tetramethylundecanal

C15H30O2 — CID 88510015

IUPAC3-hydroxy-4,4,7,7-tetramethylundecanal
SMILESCCCCC(C)(C)CCC(C)(C)C(O)CC=O
InChIInChI=1S/C15H30O2/c1-6-7-9-14(2,3)10-11-15(4,5)13(17)8-12-16/h12-13,17H,6-11H2,1-5H3
InChIKeyLANNHWCMBVUPIX-UHFFFAOYSA-N
MW242.40 g/mol
LogP3.96
Rot. Bonds9

About 3-hydroxy-4,4,7,7-tetramethylundecanal

3-hydroxy-4,4,7,7-tetramethylundecanal (PubChem CID 88510015) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3-hydroxy-4,4,7,7-tetramethylundecanal.

Molecular Properties

Compound Name3-hydroxy-4,4,7,7-tetramethylundecanal
PubChem CID88510015
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3-hydroxy-4,4,7,7-tetramethylundecanal
SMILESCCCCC(C)(C)CCC(C)(C)C(O)CC=O
InChIInChI=1S/C15H30O2/c1-6-7-9-14(2,3)10-11-15(4,5)13(17)8-12-16/h12-13,17H,6-11H2,1-5H3
InChIKeyLANNHWCMBVUPIX-UHFFFAOYSA-N
XLogP3.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,4,7,7-tetramethylundecanal?
The IUPAC name of 3-hydroxy-4,4,7,7-tetramethylundecanal (CID 88510015) is 3-hydroxy-4,4,7,7-tetramethylundecanal.
What is the SMILES notation for 3-hydroxy-4,4,7,7-tetramethylundecanal?
The canonical SMILES for 3-hydroxy-4,4,7,7-tetramethylundecanal is CCCCC(C)(C)CCC(C)(C)C(O)CC=O.
What is the InChIKey of 3-hydroxy-4,4,7,7-tetramethylundecanal?
The InChIKey is LANNHWCMBVUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-6-7-9-14(2,3)10-11-15(4,5)13(17)8-12-16/h12-13,17H,6-11H2,1-5H3.
What are the key properties of 3-hydroxy-4,4,7,7-tetramethylundecanal?
3-hydroxy-4,4,7,7-tetramethylundecanal has a molecular weight of 242.40 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4,4,7,7-tetramethylundecanal is sourced from PubChem (CID 88510015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).