2-hydroxy-2,6-dimethylhept-6-enal

C9H16O2 — CID 12859207

IUPAC2-hydroxy-2,6-dimethylhept-6-enal
SMILESC=C(C)CCCC(C)(O)C=O
InChIInChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7-10/h7,11H,1,4-6H2,2-3H3
InChIKeyCWTLACRNJBJBIE-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds5

About 2-hydroxy-2,6-dimethylhept-6-enal

2-hydroxy-2,6-dimethylhept-6-enal (PubChem CID 12859207) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-hydroxy-2,6-dimethylhept-6-enal.

Molecular Properties

Compound Name2-hydroxy-2,6-dimethylhept-6-enal
PubChem CID12859207
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-hydroxy-2,6-dimethylhept-6-enal
SMILESC=C(C)CCCC(C)(O)C=O
InChIInChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7-10/h7,11H,1,4-6H2,2-3H3
InChIKeyCWTLACRNJBJBIE-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
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 2-hydroxy-2,6-dimethylhept-6-enal?
The IUPAC name of 2-hydroxy-2,6-dimethylhept-6-enal (CID 12859207) is 2-hydroxy-2,6-dimethylhept-6-enal.
What is the SMILES notation for 2-hydroxy-2,6-dimethylhept-6-enal?
The canonical SMILES for 2-hydroxy-2,6-dimethylhept-6-enal is C=C(C)CCCC(C)(O)C=O.
What is the InChIKey of 2-hydroxy-2,6-dimethylhept-6-enal?
The InChIKey is CWTLACRNJBJBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)5-4-6-9(3,11)7-10/h7,11H,1,4-6H2,2-3H3.
What are the key properties of 2-hydroxy-2,6-dimethylhept-6-enal?
2-hydroxy-2,6-dimethylhept-6-enal has a molecular weight of 156.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,6-dimethylhept-6-enal is sourced from PubChem (CID 12859207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).