[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane

C11H16O — CID 178055171

IUPAC[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
SMILESC=C/C(=C\C=C/C)OC1CCC1
InChIInChI=1S/C11H16O/c1-3-5-7-10(4-2)12-11-8-6-9-11/h3-5,7,11H,2,6,8-9H2,1H3/b5-3-,10-7+
InChIKeyCIUBFWNWBRZWAQ-ZMSZASLQSA-N
MW164.25 g/mol
LogP3.20
Rot. Bonds4

About [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane

[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane (PubChem CID 178055171) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane.

Molecular Properties

Compound Name[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
PubChem CID178055171
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane
SMILESC=C/C(=C\C=C/C)OC1CCC1
InChIInChI=1S/C11H16O/c1-3-5-7-10(4-2)12-11-8-6-9-11/h3-5,7,11H,2,6,8-9H2,1H3/b5-3-,10-7+
InChIKeyCIUBFWNWBRZWAQ-ZMSZASLQSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hepta-1,3,5-trien-3-yloxypiperidine
CID 90980595
4-[(3E)-hexa-1,3,5-trien-3-yl]oxy-1-methylpiperidine
CID 142009560
2-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxymethyl]oxirane
CID 89283730
buta-1,3-dien-2-yloxycyclohexane
CID 142221806
ethane;(3E,5Z)-3-propan-2-yloxyhepta-1,3,5-triene
CID 143474027
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
1-ethyl-3-hexa-1,3,5-trien-3-yloxycyclopentane
CID 123746501
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxypiperidine
CID 88582834
(3E,5Z)-3-butoxyhepta-1,3,5-triene
CID 142022135
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
[(3Z,5Z,7E)-7-bromonona-3,5,7-trien-4-yl]oxycyclobutane
CID 155583299

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane?
The IUPAC name of [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane (CID 178055171) is [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane.
What is the SMILES notation for [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane?
The canonical SMILES for [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane is C=C/C(=C\C=C/C)OC1CCC1.
What is the InChIKey of [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane?
The InChIKey is CIUBFWNWBRZWAQ-ZMSZASLQSA-N. The full InChI is InChI=1S/C11H16O/c1-3-5-7-10(4-2)12-11-8-6-9-11/h3-5,7,11H,2,6,8-9H2,1H3/b5-3-,10-7+.
What are the key properties of [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane?
[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane has a molecular weight of 164.25 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-hepta-1,3,5-trien-3-yl]oxycyclobutane is sourced from PubChem (CID 178055171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).