ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene

C11H16 — CID 143837264

IUPACethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
SMILESC#CC(/C=C\C=C)=C/C.CC
InChIInChI=1S/C9H10.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h2,4,6-8H,1H2,3H3;1-2H3/b8-7-,9-6-;
InChIKeyRZBITONPTRFEJH-RTJPRTBYSA-N
MW148.25 g/mol
LogP3.33
Rot. Bonds2

About ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene

ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene (PubChem CID 143837264) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
PubChem CID143837264
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Nameethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
SMILESC#CC(/C=C\C=C)=C/C.CC
InChIInChI=1S/C9H10.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h2,4,6-8H,1H2,3H3;1-2H3/b8-7-,9-6-;
InChIKeyRZBITONPTRFEJH-RTJPRTBYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E,10E,11Z)-5,10-di(ethylidene)trideca-1,3,6,11-tetraen-8-yne;ethane
CID 144946763
(3Z)-6,6-dimethyl-5-methylideneocta-1,3-dien-7-yne
CID 143798054
ethane;(3Z,6E)-6-methyl-5-methylideneocta-1,3,6-triene
CID 145268478
ethane;(3Z,5Z)-5-ethylhepta-1,3,5-triene
CID 145142585
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
ethane;(3Z,5E)-6-ethylocta-1,3,5-trien-7-yne
CID 145005025
ethane;(3E,6E,7Z)-6-ethylidene-5-ethynyl-4-[(Z)-prop-1-enyl]deca-1,3,7,9-tetraen-5-ol
CID 143661428
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]hydrazine
CID 154694303
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
N-[(3Z,5E)-5-ethynyl-2-methylidenehepta-3,5-dienyl]formamide
CID 166458880
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene?
The IUPAC name of ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene (CID 143837264) is ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene.
What is the SMILES notation for ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene?
The canonical SMILES for ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene is C#CC(/C=C\C=C)=C/C.CC.
What is the InChIKey of ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene?
The InChIKey is RZBITONPTRFEJH-RTJPRTBYSA-N. The full InChI is InChI=1S/C9H10.C2H6/c1-4-7-8-9(5-2)6-3;1-2/h2,4,6-8H,1H2,3H3;1-2H3/b8-7-,9-6-;.
What are the key properties of ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene?
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene has a molecular weight of 148.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene is sourced from PubChem (CID 143837264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).