(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene

C12H22O — CID 10535449

IUPAC(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
SMILESCO/C=C/C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+/t12-/m0/s1
InChIKeyZUEVWKWMHDOVHO-JXPAYYINSA-N
MW182.31 g/mol
LogP3.92
Rot. Bonds6

About (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene

(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene (PubChem CID 10535449) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene.

Molecular Properties

Compound Name(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
PubChem CID10535449
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene
SMILESCO/C=C/C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C12H22O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+/t12-/m0/s1
InChIKeyZUEVWKWMHDOVHO-JXPAYYINSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene?
The IUPAC name of (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene (CID 10535449) is (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene.
What is the SMILES notation for (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene?
The canonical SMILES for (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene is CO/C=C/C[C@@H](C)CCC=C(C)C.
What is the InChIKey of (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene?
The InChIKey is ZUEVWKWMHDOVHO-JXPAYYINSA-N. The full InChI is InChI=1S/C12H22O/c1-11(2)7-5-8-12(3)9-6-10-13-4/h6-7,10,12H,5,8-9H2,1-4H3/b10-6+/t12-/m0/s1.
What are the key properties of (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene?
(1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene has a molecular weight of 182.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4S)-1-methoxy-4,8-dimethylnona-1,7-diene is sourced from PubChem (CID 10535449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).