6,7-dimethoxyhept-1-ene

C9H18O2 — CID 57294939

IUPAC6,7-dimethoxyhept-1-ene
SMILESC=CCCCC(COC)OC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeyFQVBSBJQHNRTPN-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.00
Rot. Bonds7

About 6,7-dimethoxyhept-1-ene

6,7-dimethoxyhept-1-ene (PubChem CID 57294939) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 6,7-dimethoxyhept-1-ene.

Molecular Properties

Compound Name6,7-dimethoxyhept-1-ene
PubChem CID57294939
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name6,7-dimethoxyhept-1-ene
SMILESC=CCCCC(COC)OC
InChIInChI=1S/C9H18O2/c1-4-5-6-7-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3
InChIKeyFQVBSBJQHNRTPN-UHFFFAOYSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxyhept-1-ene?
The IUPAC name of 6,7-dimethoxyhept-1-ene (CID 57294939) is 6,7-dimethoxyhept-1-ene.
What is the SMILES notation for 6,7-dimethoxyhept-1-ene?
The canonical SMILES for 6,7-dimethoxyhept-1-ene is C=CCCCC(COC)OC.
What is the InChIKey of 6,7-dimethoxyhept-1-ene?
The InChIKey is FQVBSBJQHNRTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-6-7-9(11-3)8-10-2/h4,9H,1,5-8H2,2-3H3.
What are the key properties of 6,7-dimethoxyhept-1-ene?
6,7-dimethoxyhept-1-ene has a molecular weight of 158.24 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxyhept-1-ene is sourced from PubChem (CID 57294939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).