6-(ethoxymethoxy)hexa-1,3-diene

C9H16O2 — CID 71412598

IUPAC6-(ethoxymethoxy)hexa-1,3-diene
SMILESC=CC=CCCOCOCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9-10-4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeySESZSPBQQOGEQN-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.13
Rot. Bonds7

About 6-(ethoxymethoxy)hexa-1,3-diene

6-(ethoxymethoxy)hexa-1,3-diene (PubChem CID 71412598) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 6-(ethoxymethoxy)hexa-1,3-diene.

Molecular Properties

Compound Name6-(ethoxymethoxy)hexa-1,3-diene
PubChem CID71412598
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name6-(ethoxymethoxy)hexa-1,3-diene
SMILESC=CC=CCCOCOCC
InChIInChI=1S/C9H16O2/c1-3-5-6-7-8-11-9-10-4-2/h3,5-6H,1,4,7-9H2,2H3
InChIKeySESZSPBQQOGEQN-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.13
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Acetaldehyde ethyl (Z)-3-hexenyl acetal
CID 5366352
3-Hexene, 1,1-diethoxy-, (3Z)-
CID 5364291
3-Hexene, 1-(1-ethoxyethoxy)-, (E)-
CID 5463962
3-Hexene, 1,1'-[ethylidenebis(oxy)]bis-, (3Z,3'Z)-
CID 113198
Acetaldehyde di-cis-3-hexenyl acetal
CID 5367767
1,1-Diethoxyhex-3-ene
CID 166431
3-Hexene, 1-(1-methoxypropoxy)-, (3E)-
CID 6366609
3-Hexene, 1-(1-methoxypropoxy)-, (3Z)-
CID 20836345
(3Z,3'Z,3''Z)-1,1',1''-[Ethylidynetris(oxy)]tris[3-hexene]
CID 92033997
3-Hexen-1-ol, 1,1a(2)-carbonate (2:1), (3Z,3a(2)Z)-
CID 156622772
Ethyl (Z)-hex-3-enyl carbonate
CID 11745090
Ethyl (E)-hex-3-enyl carbonate
CID 15214139

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethoxy)hexa-1,3-diene?
The IUPAC name of 6-(ethoxymethoxy)hexa-1,3-diene (CID 71412598) is 6-(ethoxymethoxy)hexa-1,3-diene.
What is the SMILES notation for 6-(ethoxymethoxy)hexa-1,3-diene?
The canonical SMILES for 6-(ethoxymethoxy)hexa-1,3-diene is C=CC=CCCOCOCC.
What is the InChIKey of 6-(ethoxymethoxy)hexa-1,3-diene?
The InChIKey is SESZSPBQQOGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-7-8-11-9-10-4-2/h3,5-6H,1,4,7-9H2,2H3.
What are the key properties of 6-(ethoxymethoxy)hexa-1,3-diene?
6-(ethoxymethoxy)hexa-1,3-diene has a molecular weight of 156.22 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethoxy)hexa-1,3-diene is sourced from PubChem (CID 71412598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).