4-(6-methoxyhexoxy)hepta-1,6-diene

C14H26O2 — CID 88561855

IUPAC4-(6-methoxyhexoxy)hepta-1,6-diene
SMILESC=CCC(CC=C)OCCCCCCOC
InChIInChI=1S/C14H26O2/c1-4-10-14(11-5-2)16-13-9-7-6-8-12-15-3/h4-5,14H,1-2,6-13H2,3H3
InChIKeyCSEOGYMIXOMSQO-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.73
Rot. Bonds12

About 4-(6-methoxyhexoxy)hepta-1,6-diene

4-(6-methoxyhexoxy)hepta-1,6-diene (PubChem CID 88561855) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-(6-methoxyhexoxy)hepta-1,6-diene.

Molecular Properties

Compound Name4-(6-methoxyhexoxy)hepta-1,6-diene
PubChem CID88561855
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-(6-methoxyhexoxy)hepta-1,6-diene
SMILESC=CCC(CC=C)OCCCCCCOC
InChIInChI=1S/C14H26O2/c1-4-10-14(11-5-2)16-13-9-7-6-8-12-15-3/h4-5,14H,1-2,6-13H2,3H3
InChIKeyCSEOGYMIXOMSQO-UHFFFAOYSA-N
XLogP3.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.73
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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Related Compounds

4,5-dimethoxypent-1-ene
CID 73040162
3-(3-methoxypropoxy)penta-1,4-diene
CID 88561870
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CID 165443054
3-butoxyhex-5-en-1-ol
CID 90780016
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
4-(methoxymethoxy)non-1-ene
CID 14592865
3-(3-methoxypropyl)hex-5-en-2-one
CID 59857922
1-methoxy-10-(4-octoxy-2-pentoxybutoxy)decane
CID 102089285
1-[1-methoxy-3-(2-methoxyethoxy)propan-2-yl]oxyoctadecane
CID 126614147
4-hepta-1,6-dien-4-yloxyhepta-1,6-diene
CID 23055063
1-methoxy-6-(6-methoxyhexoxy)hexane
CID 154493017

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyhexoxy)hepta-1,6-diene?
The IUPAC name of 4-(6-methoxyhexoxy)hepta-1,6-diene (CID 88561855) is 4-(6-methoxyhexoxy)hepta-1,6-diene.
What is the SMILES notation for 4-(6-methoxyhexoxy)hepta-1,6-diene?
The canonical SMILES for 4-(6-methoxyhexoxy)hepta-1,6-diene is C=CCC(CC=C)OCCCCCCOC.
What is the InChIKey of 4-(6-methoxyhexoxy)hepta-1,6-diene?
The InChIKey is CSEOGYMIXOMSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-10-14(11-5-2)16-13-9-7-6-8-12-15-3/h4-5,14H,1-2,6-13H2,3H3.
What are the key properties of 4-(6-methoxyhexoxy)hepta-1,6-diene?
4-(6-methoxyhexoxy)hepta-1,6-diene has a molecular weight of 226.36 g/mol, XLogP of 3.73, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyhexoxy)hepta-1,6-diene is sourced from PubChem (CID 88561855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).