(E,6R)-2,6-dimethyloct-2-enedial

C10H16O2 — CID 643130

IUPAC(E,6R)-2,6-dimethyloct-2-enedial
SMILESC/C(C=O)=C\CC[C@@H](C)CC=O
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,7-9H,3-4,6H2,1-2H3/b10-5+/t9-/m1/s1
InChIKeyPRTZFRDMCSQWSF-RAJVOEEQSA-N
MW168.24 g/mol
LogP2.14
Rot. Bonds6

About (E,6R)-2,6-dimethyloct-2-enedial

(E,6R)-2,6-dimethyloct-2-enedial (PubChem CID 643130) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E,6R)-2,6-dimethyloct-2-enedial.

Molecular Properties

Compound Name(E,6R)-2,6-dimethyloct-2-enedial
PubChem CID643130
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E,6R)-2,6-dimethyloct-2-enedial
SMILESC/C(C=O)=C\CC[C@@H](C)CC=O
InChIInChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,7-9H,3-4,6H2,1-2H3/b10-5+/t9-/m1/s1
InChIKeyPRTZFRDMCSQWSF-RAJVOEEQSA-N
XLogP2.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,6R)-2,6-dimethyloct-2-enedial?
The IUPAC name of (E,6R)-2,6-dimethyloct-2-enedial (CID 643130) is (E,6R)-2,6-dimethyloct-2-enedial.
What is the SMILES notation for (E,6R)-2,6-dimethyloct-2-enedial?
The canonical SMILES for (E,6R)-2,6-dimethyloct-2-enedial is C/C(C=O)=C\CC[C@@H](C)CC=O.
What is the InChIKey of (E,6R)-2,6-dimethyloct-2-enedial?
The InChIKey is PRTZFRDMCSQWSF-RAJVOEEQSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5,7-9H,3-4,6H2,1-2H3/b10-5+/t9-/m1/s1.
What are the key properties of (E,6R)-2,6-dimethyloct-2-enedial?
(E,6R)-2,6-dimethyloct-2-enedial has a molecular weight of 168.24 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-2,6-dimethyloct-2-enedial is sourced from PubChem (CID 643130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).