6-methoxy-2,5-dimethylocta-1,6-diene

C11H20O — CID 123277577

IUPAC6-methoxy-2,5-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C)C(=CC)OC
InChIInChI=1S/C11H20O/c1-6-11(12-5)10(4)8-7-9(2)3/h6,10H,2,7-8H2,1,3-5H3
InChIKeyJXXBZKPQUFZJPO-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.53
Rot. Bonds5

About 6-methoxy-2,5-dimethylocta-1,6-diene

6-methoxy-2,5-dimethylocta-1,6-diene (PubChem CID 123277577) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-methoxy-2,5-dimethylocta-1,6-diene.

Molecular Properties

Compound Name6-methoxy-2,5-dimethylocta-1,6-diene
PubChem CID123277577
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-methoxy-2,5-dimethylocta-1,6-diene
SMILESC=C(C)CCC(C)C(=CC)OC
InChIInChI=1S/C11H20O/c1-6-11(12-5)10(4)8-7-9(2)3/h6,10H,2,7-8H2,1,3-5H3
InChIKeyJXXBZKPQUFZJPO-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.53
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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Related Compounds

2-methylpropyl 2,5-dimethylhex-5-enoate
CID 162502138
(2S)-2,5-dimethylhex-5-enoic acid
CID 94864508
5-methyl-N-prop-1-en-2-ylhex-5-en-2-amine
CID 143351976
2,6,9-trimethyl-5-methylidene-4-prop-1-en-2-yldeca-1,3,9-triene
CID 123767208
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
2,8-dimethylnon-1-en-5-ylhydrazine
CID 105207539
N,2,6-trimethylhept-6-en-3-amine
CID 114474208
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
1-methoxy-N,2,7-trimethyloct-7-en-4-amine
CID 105182739
4-bromo-3-methoxypent-2-ene
CID 88785690
(7Z,10E)-2,5-dimethyldodeca-1,7,10-triene
CID 143072031
2,9-dimethyl-6-methylidenedec-1-en-5-amine
CID 174272112

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2,5-dimethylocta-1,6-diene?
The IUPAC name of 6-methoxy-2,5-dimethylocta-1,6-diene (CID 123277577) is 6-methoxy-2,5-dimethylocta-1,6-diene.
What is the SMILES notation for 6-methoxy-2,5-dimethylocta-1,6-diene?
The canonical SMILES for 6-methoxy-2,5-dimethylocta-1,6-diene is C=C(C)CCC(C)C(=CC)OC.
What is the InChIKey of 6-methoxy-2,5-dimethylocta-1,6-diene?
The InChIKey is JXXBZKPQUFZJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11(12-5)10(4)8-7-9(2)3/h6,10H,2,7-8H2,1,3-5H3.
What are the key properties of 6-methoxy-2,5-dimethylocta-1,6-diene?
6-methoxy-2,5-dimethylocta-1,6-diene has a molecular weight of 168.28 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2,5-dimethylocta-1,6-diene is sourced from PubChem (CID 123277577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).