(2E,4E)-1,1-dimethoxyhexa-2,4-diene

C8H14O2 — CID 11126374

IUPAC(2E,4E)-1,1-dimethoxyhexa-2,4-diene
SMILESC/C=C/C=C/C(OC)OC
InChIInChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3/b5-4+,7-6+
InChIKeyAHPWAHONMBZZRZ-YTXTXJHMSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds4

About (2E,4E)-1,1-dimethoxyhexa-2,4-diene

(2E,4E)-1,1-dimethoxyhexa-2,4-diene (PubChem CID 11126374) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (2E,4E)-1,1-dimethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-1,1-dimethoxyhexa-2,4-diene
PubChem CID11126374
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(2E,4E)-1,1-dimethoxyhexa-2,4-diene
SMILESC/C=C/C=C/C(OC)OC
InChIInChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3/b5-4+,7-6+
InChIKeyAHPWAHONMBZZRZ-YTXTXJHMSA-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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Related Compounds

Acrolein dimethyl acetal
CID 80145
2-Butene, 1,1-dimethoxy-
CID 5367935
trans-2-Butenal diethyl acetal
CID 6278424
1,1-Diethoxy-2-butene
CID 99778
2-Butene, 1,1,4,4-tetramethoxy-
CID 5382783
2,4-Hexadiene, 1,1-diethoxy-
CID 5369044
Propionaldehyde dicrotyl acetal
CID 6437580
(2E)-1,1,4,4-tetramethoxybut-2-ene
CID 5862719
Hexadien-1-al diethyl acetal
CID 161560
4,4-Dimeth-oxy-2-butene
CID 30873
2,4-Hexadiene, 1,1,6,6-tetraethoxy-
CID 6437313
2,5-Diethoxy-2,5-dihydrofuran
CID 15787793

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1,1-dimethoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-1,1-dimethoxyhexa-2,4-diene (CID 11126374) is (2E,4E)-1,1-dimethoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-1,1-dimethoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-1,1-dimethoxyhexa-2,4-diene is C/C=C/C=C/C(OC)OC.
What is the InChIKey of (2E,4E)-1,1-dimethoxyhexa-2,4-diene?
The InChIKey is AHPWAHONMBZZRZ-YTXTXJHMSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-5-6-7-8(9-2)10-3/h4-8H,1-3H3/b5-4+,7-6+.
What are the key properties of (2E,4E)-1,1-dimethoxyhexa-2,4-diene?
(2E,4E)-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 (2E,4E)-1,1-dimethoxyhexa-2,4-diene is sourced from PubChem (CID 11126374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).