ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene

C15H24O — CID 143724412

IUPACethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)OC(=C)/C=C\CC.CC
InChIInChI=1S/C13H18O.C2H6/c1-6-7-8-12(4)14-13(5)10-9-11(2)3;1-2/h7-10H,2,4-6H2,1,3H3;1-2H3/b8-7-,10-9-;
InChIKeyOUOWGFZNZBBNLH-CGGPWJJTSA-N
MW220.36 g/mol
LogP5.16
Rot. Bonds6

About ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene

ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene (PubChem CID 143724412) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
PubChem CID143724412
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
SMILESC=C(C)/C=C\C(=C)OC(=C)/C=C\CC.CC
InChIInChI=1S/C13H18O.C2H6/c1-6-7-8-12(4)14-13(5)10-9-11(2)3;1-2/h7-10H,2,4-6H2,1,3H3;1-2H3/b8-7-,10-9-;
InChIKeyOUOWGFZNZBBNLH-CGGPWJJTSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.36
LogP ≤ 55.16
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

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
(3Z)-6,9-dimethyl-2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxy-5-methylidenedeca-1,3-diene
CID 144754217
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CID 153333983
(3E,5E,6Z)-5-(2-fluoroethylidene)-2-methylnona-1,3,6-triene
CID 137451315
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
(3Z)-2-methyl-5-(3,3,3-trifluoropropoxy)hexa-1,3,5-triene
CID 143559913
(3Z)-2-methyl-5-(2-methylbutoxy)hexa-1,3,5-triene
CID 143084767
ethane;(2E,4Z)-2-[(3Z)-5-[(3Z)-hexa-1,3,5-trien-2-yl]oxyhexa-1,3,5-trien-2-yl]oxyocta-2,4-diene
CID 145045584

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene?
The IUPAC name of ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene (CID 143724412) is ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene.
What is the SMILES notation for ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene?
The canonical SMILES for ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene is C=C(C)/C=C\C(=C)OC(=C)/C=C\CC.CC.
What is the InChIKey of ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene?
The InChIKey is OUOWGFZNZBBNLH-CGGPWJJTSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-6-7-8-12(4)14-13(5)10-9-11(2)3;1-2/h7-10H,2,4-6H2,1,3H3;1-2H3/b8-7-,10-9-;.
What are the key properties of ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene?
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene has a molecular weight of 220.36 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene is sourced from PubChem (CID 143724412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).