6,7-dimethoxy-5-methylhept-1-ene

C10H20O2 — CID 89254927

IUPAC6,7-dimethoxy-5-methylhept-1-ene
SMILESC=CCCC(C)C(COC)OC
InChIInChI=1S/C10H20O2/c1-5-6-7-9(2)10(12-4)8-11-3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyXRXGMORACYQQCH-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.25
Rot. Bonds7

About 6,7-dimethoxy-5-methylhept-1-ene

6,7-dimethoxy-5-methylhept-1-ene (PubChem CID 89254927) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6,7-dimethoxy-5-methylhept-1-ene.

Molecular Properties

Compound Name6,7-dimethoxy-5-methylhept-1-ene
PubChem CID89254927
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6,7-dimethoxy-5-methylhept-1-ene
SMILESC=CCCC(C)C(COC)OC
InChIInChI=1S/C10H20O2/c1-5-6-7-9(2)10(12-4)8-11-3/h5,9-10H,1,6-8H2,2-4H3
InChIKeyXRXGMORACYQQCH-UHFFFAOYSA-N
XLogP2.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6,7-dimethoxy-5-methylhept-1-ene?
The IUPAC name of 6,7-dimethoxy-5-methylhept-1-ene (CID 89254927) is 6,7-dimethoxy-5-methylhept-1-ene.
What is the SMILES notation for 6,7-dimethoxy-5-methylhept-1-ene?
The canonical SMILES for 6,7-dimethoxy-5-methylhept-1-ene is C=CCCC(C)C(COC)OC.
What is the InChIKey of 6,7-dimethoxy-5-methylhept-1-ene?
The InChIKey is XRXGMORACYQQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-6-7-9(2)10(12-4)8-11-3/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 6,7-dimethoxy-5-methylhept-1-ene?
6,7-dimethoxy-5-methylhept-1-ene has a molecular weight of 172.27 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-5-methylhept-1-ene is sourced from PubChem (CID 89254927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).