ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne

C17H24O — CID 143116902

IUPACethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne
SMILESC=C/C=C\C(=C)OCC#C/C(C)=C/C=C\C.CC
InChIInChI=1S/C15H18O.C2H6/c1-5-7-10-14(3)11-9-13-16-15(4)12-8-6-2;1-2/h5-8,10,12H,2,4,13H2,1,3H3;1-2H3/b7-5-,12-8-,14-10+;
InChIKeyOIPRJWQEQYMMKL-TUMDKOQNSA-N
MW244.38 g/mol
LogP4.81
Rot. Bonds5

About ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne

ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne (PubChem CID 143116902) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne.

Molecular Properties

Compound Nameethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne
PubChem CID143116902
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Nameethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne
SMILESC=C/C=C\C(=C)OCC#C/C(C)=C/C=C\C.CC
InChIInChI=1S/C15H18O.C2H6/c1-5-7-10-14(3)11-9-13-16-15(4)12-8-6-2;1-2/h5-8,10,12H,2,4,13H2,1,3H3;1-2H3/b7-5-,12-8-,14-10+;
InChIKeyOIPRJWQEQYMMKL-TUMDKOQNSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.81
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethene;(3Z,8E,10Z)-8-methyl-5-methylidenedodeca-1,3,8,10-tetraen-6-yne
CID 142176568
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
6-methyl-2-prop-2-ynoxyhepta-1,3,5-triene
CID 123593595
4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene
CID 123515731
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
2-methylpenta-1,3-diene;penta-1,3-diene
CID 158114840
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
ethane;penta-1,3-diene;propane
CID 143367111

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne?
The IUPAC name of ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne (CID 143116902) is ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne.
What is the SMILES notation for ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne?
The canonical SMILES for ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne is C=C/C=C\C(=C)OCC#C/C(C)=C/C=C\C.CC.
What is the InChIKey of ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne?
The InChIKey is OIPRJWQEQYMMKL-TUMDKOQNSA-N. The full InChI is InChI=1S/C15H18O.C2H6/c1-5-7-10-14(3)11-9-13-16-15(4)12-8-6-2;1-2/h5-8,10,12H,2,4,13H2,1,3H3;1-2H3/b7-5-,12-8-,14-10+;.
What are the key properties of ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne?
ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne has a molecular weight of 244.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-8-[(3Z)-hexa-1,3,5-trien-2-yl]oxy-5-methylocta-2,4-dien-6-yne is sourced from PubChem (CID 143116902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).