(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne

C11H14 — CID 143197303

IUPAC(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
SMILESC#C/C=C\C(/C=C\C)=C(C)C
InChIInChI=1S/C11H14/c1-5-7-9-11(8-6-2)10(3)4/h1,6-9H,2-4H3/b8-6-,9-7-
InChIKeyOXMGQMLVGFPLLY-VRHVFUOLSA-N
MW146.23 g/mol
LogP3.09
Rot. Bonds2

About (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne

(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne (PubChem CID 143197303) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne.

Molecular Properties

Compound Name(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
PubChem CID143197303
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne
SMILESC#C/C=C\C(/C=C\C)=C(C)C
InChIInChI=1S/C11H14/c1-5-7-9-11(8-6-2)10(3)4/h1,6-9H,2-4H3/b8-6-,9-7-
InChIKeyOXMGQMLVGFPLLY-VRHVFUOLSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.09
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

(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
pent-2-en-4-ynoic acid
CID 54170005
(3E,5Z)-4-fluoroocta-1,3,5-trien-7-yne
CID 89392703
(3Z,5Z,7R)-5-fluoro-6,7,8-trimethylnona-3,5-dien-1-yne
CID 154982226
(Z)-N,2,2-trimethylhept-4-en-6-yn-3-imine
CID 130238736
ethyl (Z)-pent-2-en-4-ynoate
CID 10887897
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
(Z,2E)-N-ethyl-2-ethylidenehex-3-en-5-ynamide
CID 130282853
(2Z,4Z,6E)-4,5-dimethylocta-2,4,6-triene;ethane
CID 143078832
N-[(Z)-but-2-en-2-yl]-1-[(Z,2E)-2-ethylidenehex-3-en-5-ynoxy]propan-2-imine
CID 143063008
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723

Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne?
The IUPAC name of (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne (CID 143197303) is (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne.
What is the SMILES notation for (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne?
The canonical SMILES for (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne is C#C/C=C\C(/C=C\C)=C(C)C.
What is the InChIKey of (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne?
The InChIKey is OXMGQMLVGFPLLY-VRHVFUOLSA-N. The full InChI is InChI=1S/C11H14/c1-5-7-9-11(8-6-2)10(3)4/h1,6-9H,2-4H3/b8-6-,9-7-.
What are the key properties of (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne?
(3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne has a molecular weight of 146.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-5-propan-2-ylideneocta-3,6-dien-1-yne is sourced from PubChem (CID 143197303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).