6-hydroxy-2,6,10-trimethylundec-9-enal

C14H26O2 — CID 129151777

IUPAC6-hydroxy-2,6,10-trimethylundec-9-enal
SMILESCC(C)=CCCC(C)(O)CCCC(C)C=O
InChIInChI=1S/C14H26O2/c1-12(2)7-5-9-14(4,16)10-6-8-13(3)11-15/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKeyIFUUILBMRHMSLU-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.49
Rot. Bonds8

About 6-hydroxy-2,6,10-trimethylundec-9-enal

6-hydroxy-2,6,10-trimethylundec-9-enal (PubChem CID 129151777) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-hydroxy-2,6,10-trimethylundec-9-enal.

Molecular Properties

Compound Name6-hydroxy-2,6,10-trimethylundec-9-enal
PubChem CID129151777
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name6-hydroxy-2,6,10-trimethylundec-9-enal
SMILESCC(C)=CCCC(C)(O)CCCC(C)C=O
InChIInChI=1S/C14H26O2/c1-12(2)7-5-9-14(4,16)10-6-8-13(3)11-15/h7,11,13,16H,5-6,8-10H2,1-4H3
InChIKeyIFUUILBMRHMSLU-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,6,10-trimethylundec-9-enal?
The IUPAC name of 6-hydroxy-2,6,10-trimethylundec-9-enal (CID 129151777) is 6-hydroxy-2,6,10-trimethylundec-9-enal.
What is the SMILES notation for 6-hydroxy-2,6,10-trimethylundec-9-enal?
The canonical SMILES for 6-hydroxy-2,6,10-trimethylundec-9-enal is CC(C)=CCCC(C)(O)CCCC(C)C=O.
What is the InChIKey of 6-hydroxy-2,6,10-trimethylundec-9-enal?
The InChIKey is IFUUILBMRHMSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-12(2)7-5-9-14(4,16)10-6-8-13(3)11-15/h7,11,13,16H,5-6,8-10H2,1-4H3.
What are the key properties of 6-hydroxy-2,6,10-trimethylundec-9-enal?
6-hydroxy-2,6,10-trimethylundec-9-enal has a molecular weight of 226.36 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,6,10-trimethylundec-9-enal is sourced from PubChem (CID 129151777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).