7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene

C9H10O2 — CID 122436055

IUPAC7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=CCOCOC
InChIInChI=1S/C9H10O2/c1-3-4-5-6-7-8-11-9-10-2/h7H,1,8-9H2,2H3
InChIKeyCQMUCUSEFSXBOR-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.41
Rot. Bonds4

About 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene

7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene (PubChem CID 122436055) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene.

Molecular Properties

Compound Name7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene
PubChem CID122436055
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene
SMILESC=C=C=C=C=CCOCOC
InChIInChI=1S/C9H10O2/c1-3-4-5-6-7-8-11-9-10-2/h7H,1,8-9H2,2H3
InChIKeyCQMUCUSEFSXBOR-UHFFFAOYSA-N
XLogP1.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene?
The IUPAC name of 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene (CID 122436055) is 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene.
What is the SMILES notation for 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene?
The canonical SMILES for 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene is C=C=C=C=C=CCOCOC.
What is the InChIKey of 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene?
The InChIKey is CQMUCUSEFSXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-3-4-5-6-7-8-11-9-10-2/h7H,1,8-9H2,2H3.
What are the key properties of 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene?
7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene has a molecular weight of 150.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethoxy)hepta-1,2,3,4,5-pentaene is sourced from PubChem (CID 122436055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).