(3R)-3,7-dimethyloct-7-enal

C10H18O — CID 72941638

IUPAC(3R)-3,7-dimethyloct-7-enal
SMILESC=C(C)CCC[C@@H](C)CC=O
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3/t10-/m1/s1
InChIKeyKQZAHMIZMBERJX-SNVBAGLBSA-N
MW154.25 g/mol
LogP2.96
Rot. Bonds6

About (3R)-3,7-dimethyloct-7-enal

(3R)-3,7-dimethyloct-7-enal (PubChem CID 72941638) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3R)-3,7-dimethyloct-7-enal.

Molecular Properties

Compound Name(3R)-3,7-dimethyloct-7-enal
PubChem CID72941638
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3R)-3,7-dimethyloct-7-enal
SMILESC=C(C)CCC[C@@H](C)CC=O
InChIInChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3/t10-/m1/s1
InChIKeyKQZAHMIZMBERJX-SNVBAGLBSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3R)-3,7-dimethyloct-7-enal?
The IUPAC name of (3R)-3,7-dimethyloct-7-enal (CID 72941638) is (3R)-3,7-dimethyloct-7-enal.
What is the SMILES notation for (3R)-3,7-dimethyloct-7-enal?
The canonical SMILES for (3R)-3,7-dimethyloct-7-enal is C=C(C)CCC[C@@H](C)CC=O.
What is the InChIKey of (3R)-3,7-dimethyloct-7-enal?
The InChIKey is KQZAHMIZMBERJX-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h8,10H,1,4-7H2,2-3H3/t10-/m1/s1.
What are the key properties of (3R)-3,7-dimethyloct-7-enal?
(3R)-3,7-dimethyloct-7-enal has a molecular weight of 154.25 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyloct-7-enal is sourced from PubChem (CID 72941638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).