6-methoxy-2-methylhept-2-ene

C9H18O — CID 15083974

IUPAC6-methoxy-2-methylhept-2-ene
SMILESCOC(C)CCC=C(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3)10-4/h6,9H,5,7H2,1-4H3
InChIKeyZOYQQFUFESZKQA-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds4

About 6-methoxy-2-methylhept-2-ene

6-methoxy-2-methylhept-2-ene (PubChem CID 15083974) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 6-methoxy-2-methylhept-2-ene.

Molecular Properties

Compound Name6-methoxy-2-methylhept-2-ene
PubChem CID15083974
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name6-methoxy-2-methylhept-2-ene
SMILESCOC(C)CCC=C(C)C
InChIInChI=1S/C9H18O/c1-8(2)6-5-7-9(3)10-4/h6,9H,5,7H2,1-4H3
InChIKeyZOYQQFUFESZKQA-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylhept-2-ene?
The IUPAC name of 6-methoxy-2-methylhept-2-ene (CID 15083974) is 6-methoxy-2-methylhept-2-ene.
What is the SMILES notation for 6-methoxy-2-methylhept-2-ene?
The canonical SMILES for 6-methoxy-2-methylhept-2-ene is COC(C)CCC=C(C)C.
What is the InChIKey of 6-methoxy-2-methylhept-2-ene?
The InChIKey is ZOYQQFUFESZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-8(2)6-5-7-9(3)10-4/h6,9H,5,7H2,1-4H3.
What are the key properties of 6-methoxy-2-methylhept-2-ene?
6-methoxy-2-methylhept-2-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylhept-2-ene is sourced from PubChem (CID 15083974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).