1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane

C15H24O2 — CID 123832158

IUPAC1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane
SMILESC=CC(=C)OCCCCCCOC(C=C)=CC
InChIInChI=1S/C15H24O2/c1-5-14(4)16-12-10-8-9-11-13-17-15(6-2)7-3/h5-7H,1-2,4,8-13H2,3H3
InChIKeyNJEIGVGGBPBIGT-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.37
Rot. Bonds11

About 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane

1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane (PubChem CID 123832158) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane
PubChem CID123832158
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane
SMILESC=CC(=C)OCCCCCCOC(C=C)=CC
InChIInChI=1S/C15H24O2/c1-5-14(4)16-12-10-8-9-11-13-17-15(6-2)7-3/h5-7H,1-2,4,8-13H2,3H3
InChIKeyNJEIGVGGBPBIGT-UHFFFAOYSA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3E,5Z)-4-(6,6,6-trifluorohexoxy)hepta-1,3,5-triene
CID 144915864
Dilithium;6-(phenoxy)hexan-1-olate
CID 23663861
(3E,5Z)-4-(6,6,6-trifluorohexoxy)hepta-1,3,5-triene
CID 144915865
4-n-Hexyloxyphenylmagnesium bromide, 0.50 M in THF
CID 11380506
4-Hexyloxyphenyllithium
CID 13710169
Lithium heptoxybenzene
CID 19103409
3-Butoxyhexa-2,4-diene
CID 53843082
1-(3-Prop-2-enoxyprop-1-en-2-yloxy)hexane
CID 58247142
1-bromo-6-[(3E)-penta-1,3-dien-3-yl]oxyhexane
CID 58983724
1-Propan-2-yloxy-6-prop-2-enoxyhexane
CID 59532874
1-Bromo-6-penta-1,3-dien-3-yloxyhexane
CID 72480855
Magnesium;hexoxybenzene;chloride
CID 88210553

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane?
The IUPAC name of 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane (CID 123832158) is 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane.
What is the SMILES notation for 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane?
The canonical SMILES for 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane is C=CC(=C)OCCCCCCOC(C=C)=CC.
What is the InChIKey of 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane?
The InChIKey is NJEIGVGGBPBIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-14(4)16-12-10-8-9-11-13-17-15(6-2)7-3/h5-7H,1-2,4,8-13H2,3H3.
What are the key properties of 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane?
1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane has a molecular weight of 236.35 g/mol, XLogP of 4.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yloxy-6-penta-1,3-dien-3-yloxyhexane is sourced from PubChem (CID 123832158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).