(3R)-7-methoxy-3,7-dimethyloctanal

C11H22O2 — CID 6999892

IUPAC(3R)-7-methoxy-3,7-dimethyloctanal
SMILESCOC(C)(C)CCC[C@@H](C)CC=O
InChIInChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyIDWULKZGRNHZNR-SNVBAGLBSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds7

About (3R)-7-methoxy-3,7-dimethyloctanal

(3R)-7-methoxy-3,7-dimethyloctanal (PubChem CID 6999892) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (3R)-7-methoxy-3,7-dimethyloctanal.

Molecular Properties

Compound Name(3R)-7-methoxy-3,7-dimethyloctanal
PubChem CID6999892
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(3R)-7-methoxy-3,7-dimethyloctanal
SMILESCOC(C)(C)CCC[C@@H](C)CC=O
InChIInChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3/t10-/m1/s1
InChIKeyIDWULKZGRNHZNR-SNVBAGLBSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
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 (3R)-7-methoxy-3,7-dimethyloctanal?
The IUPAC name of (3R)-7-methoxy-3,7-dimethyloctanal (CID 6999892) is (3R)-7-methoxy-3,7-dimethyloctanal.
What is the SMILES notation for (3R)-7-methoxy-3,7-dimethyloctanal?
The canonical SMILES for (3R)-7-methoxy-3,7-dimethyloctanal is COC(C)(C)CCC[C@@H](C)CC=O.
What is the InChIKey of (3R)-7-methoxy-3,7-dimethyloctanal?
The InChIKey is IDWULKZGRNHZNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h9-10H,5-8H2,1-4H3/t10-/m1/s1.
What are the key properties of (3R)-7-methoxy-3,7-dimethyloctanal?
(3R)-7-methoxy-3,7-dimethyloctanal has a molecular weight of 186.29 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methoxy-3,7-dimethyloctanal is sourced from PubChem (CID 6999892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).