1,1-dimethoxyhexa-2,4-diene

C8H14O2 — CID 57153125

IUPAC1,1-dimethoxyhexa-2,4-diene
SMILESCC=CC=CC(OC)OC
InChIInChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3
InChIKeyAHPWAHONMBZZRZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds4

About 1,1-dimethoxyhexa-2,4-diene

1,1-dimethoxyhexa-2,4-diene (PubChem CID 57153125) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,1-dimethoxyhexa-2,4-diene.

Molecular Properties

Compound Name1,1-dimethoxyhexa-2,4-diene
PubChem CID57153125
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1,1-dimethoxyhexa-2,4-diene
SMILESCC=CC=CC(OC)OC
InChIInChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3
InChIKeyAHPWAHONMBZZRZ-UHFFFAOYSA-N
XLogP1.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyhexa-2,4-diene?
The IUPAC name of 1,1-dimethoxyhexa-2,4-diene (CID 57153125) is 1,1-dimethoxyhexa-2,4-diene.
What is the SMILES notation for 1,1-dimethoxyhexa-2,4-diene?
The canonical SMILES for 1,1-dimethoxyhexa-2,4-diene is CC=CC=CC(OC)OC.
What is the InChIKey of 1,1-dimethoxyhexa-2,4-diene?
The InChIKey is AHPWAHONMBZZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3.
What are the key properties of 1,1-dimethoxyhexa-2,4-diene?
1,1-dimethoxyhexa-2,4-diene has a molecular weight of 142.20 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyhexa-2,4-diene is sourced from PubChem (CID 57153125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).