(6S,7R)-7-methoxy-6-methylnonanal

C11H22O2 — CID 24879565

IUPAC(6S,7R)-7-methoxy-6-methylnonanal
SMILESCC[C@@H](OC)[C@@H](C)CCCCC=O
InChIInChI=1S/C11H22O2/c1-4-11(13-3)10(2)8-6-5-7-9-12/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyMQIROWFYILUYKI-WDEREUQCSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds8

About (6S,7R)-7-methoxy-6-methylnonanal

(6S,7R)-7-methoxy-6-methylnonanal (PubChem CID 24879565) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (6S,7R)-7-methoxy-6-methylnonanal.

Molecular Properties

Compound Name(6S,7R)-7-methoxy-6-methylnonanal
PubChem CID24879565
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(6S,7R)-7-methoxy-6-methylnonanal
SMILESCC[C@@H](OC)[C@@H](C)CCCCC=O
InChIInChI=1S/C11H22O2/c1-4-11(13-3)10(2)8-6-5-7-9-12/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyMQIROWFYILUYKI-WDEREUQCSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-7-methoxy-6-methylnonanal?
The IUPAC name of (6S,7R)-7-methoxy-6-methylnonanal (CID 24879565) is (6S,7R)-7-methoxy-6-methylnonanal.
What is the SMILES notation for (6S,7R)-7-methoxy-6-methylnonanal?
The canonical SMILES for (6S,7R)-7-methoxy-6-methylnonanal is CC[C@@H](OC)[C@@H](C)CCCCC=O.
What is the InChIKey of (6S,7R)-7-methoxy-6-methylnonanal?
The InChIKey is MQIROWFYILUYKI-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-11(13-3)10(2)8-6-5-7-9-12/h9-11H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of (6S,7R)-7-methoxy-6-methylnonanal?
(6S,7R)-7-methoxy-6-methylnonanal has a molecular weight of 186.29 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-7-methoxy-6-methylnonanal is sourced from PubChem (CID 24879565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).