(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene

C12H14O — CID 145478435

IUPAC(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene
SMILESC=C/C=C\C=C/O/C(C=C)=C/C=C
InChIInChI=1S/C12H14O/c1-4-7-8-9-11-13-12(6-3)10-5-2/h4-11H,1-3H2/b8-7-,11-9-,12-10+
InChIKeyQZRNCLJNLODRFT-KGLDOBFESA-N
MW174.24 g/mol
LogP3.51
Rot. Bonds6

About (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene

(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene (PubChem CID 145478435) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene
PubChem CID145478435
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene
SMILESC=C/C=C\C=C/O/C(C=C)=C/C=C
InChIInChI=1S/C12H14O/c1-4-7-8-9-11-13-12(6-3)10-5-2/h4-11H,1-3H2/b8-7-,11-9-,12-10+
InChIKeyQZRNCLJNLODRFT-KGLDOBFESA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.51
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

(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
[(3E)-hexa-1,3,5-trien-3-yl] 2-bromoacetate
CID 171508339
2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate
CID 154687080
buta-1,3-dienyl 2-hydroxyacetate
CID 174778577
2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl-trimethylazanium
CID 171492309
hexa-1,3,5-trienyl formate
CID 172997417
[(1E)-buta-1,3-dienyl] hydrogen carbonate
CID 102018408
ethane;(3E)-3-(trifluoromethoxy)hexa-1,3,5-triene
CID 157037906
buta-1,3-dienyl carbamate
CID 174727921
nona-2,4,6,8-tetraenylideneazanium
CID 91117301
(2Z,4Z)-1-phosphanylhepta-2,4,6-trien-2-amine
CID 89368942
(3E,5Z)-N,N-dimethylocta-1,3,5,7-tetraen-3-amine
CID 170211366

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene?
The IUPAC name of (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene (CID 145478435) is (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene.
What is the SMILES notation for (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene?
The canonical SMILES for (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene is C=C/C=C\C=C/O/C(C=C)=C/C=C.
What is the InChIKey of (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene?
The InChIKey is QZRNCLJNLODRFT-KGLDOBFESA-N. The full InChI is InChI=1S/C12H14O/c1-4-7-8-9-11-13-12(6-3)10-5-2/h4-11H,1-3H2/b8-7-,11-9-,12-10+.
What are the key properties of (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene?
(1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene has a molecular weight of 174.24 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-[(3E)-hexa-1,3,5-trien-3-yl]oxyhexa-1,3,5-triene is sourced from PubChem (CID 145478435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).