(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne

C11H10 — CID 53381529

IUPAC(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne
SMILESC#C/C=C/C(C#CC)=C/C=C
InChIInChI=1S/C11H10/c1-4-7-10-11(8-5-2)9-6-3/h1,5,7-8,10H,2H2,3H3/b10-7+,11-8+
InChIKeyUWWMSSCQDBCPJJ-AMMQDNIMSA-N
MW142.20 g/mol
LogP2.31
Rot. Bonds2

About (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne

(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne (PubChem CID 53381529) has the molecular formula C11H10 and a molecular weight of 142.20 g/mol. Its IUPAC name is (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne.

Molecular Properties

Compound Name(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne
PubChem CID53381529
Molecular FormulaC11H10
Molecular Weight142.20 g/mol
Exact Mass142.08
IUPAC Name(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne
SMILESC#C/C=C/C(C#CC)=C/C=C
InChIInChI=1S/C11H10/c1-4-7-10-11(8-5-2)9-6-3/h1,5,7-8,10H,2H2,3H3/b10-7+,11-8+
InChIKeyUWWMSSCQDBCPJJ-AMMQDNIMSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.31
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

(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
CID 89392703
(3E,5E)-6-methyl-4-prop-1-ynylocta-1,3,5-triene
CID 143502178
4-ethylhepta-1,3-dien-5-yne
CID 123484500
ethane;(3E)-4-fluoro-5-methylideneocta-1,3-dien-6-yne
CID 145351240
but-1-en-3-yne;methanol
CID 158856275
N-[(Z,3E)-3-ethylidenehex-1-en-4-ynyl]methanimine
CID 118069441
ethane;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienenitrile
CID 143537599
pent-2-en-4-ynoic acid
CID 54170005
(3Z)-5-methylideneocta-1,3-dien-6-yn-2-amine
CID 145179065
(Z)-2-methylhex-3-en-5-yn-2-ol
CID 10701797
(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
CID 143197303
ethane;(3Z,5E)-5-ethynylhepta-1,3,5-triene
CID 143837264

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne?
The IUPAC name of (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne (CID 53381529) is (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne.
What is the SMILES notation for (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne?
The canonical SMILES for (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne is C#C/C=C/C(C#CC)=C/C=C.
What is the InChIKey of (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne?
The InChIKey is UWWMSSCQDBCPJJ-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H10/c1-4-7-10-11(8-5-2)9-6-3/h1,5,7-8,10H,2H2,3H3/b10-7+,11-8+.
What are the key properties of (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne?
(3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne has a molecular weight of 142.20 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-prop-1-ynylocta-1,3,5-trien-7-yne is sourced from PubChem (CID 53381529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).