propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene

C13H22 — CID 143651334

IUPACpropane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)/C=C/C.CCC
InChIInChI=1S/C10H14.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H,1H2,2-3H3;3H2,1-2H3/b8-5-,9-6+,10-7+;
InChIKeyOFPXUINLWFKBMA-QBOFHZKPSA-N
MW178.32 g/mol
LogP4.67
Rot. Bonds3

About propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene

propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene (PubChem CID 143651334) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene.

Molecular Properties

Compound Namepropane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
PubChem CID143651334
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Namepropane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene
SMILESC=C/C=C(\C=C/C)/C=C/C.CCC
InChIInChI=1S/C10H14.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H,1H2,2-3H3;3H2,1-2H3/b8-5-,9-6+,10-7+;
InChIKeyOFPXUINLWFKBMA-QBOFHZKPSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
methyl thiohypofluorite;(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienal
CID 142138800
1-hydroxy-3-[(1E,3E)-3-[(Z)-prop-1-enyl]hexa-1,3,5-trienyl]urea
CID 130471238
(2E)-N-[(2Z)-3-ethyl-5-methylhexa-2,5-dien-2-yl]-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 177318702
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578
(3E,5E)-4-ethenylocta-1,3,5-triene
CID 142003848
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085

Frequently Asked Questions

What is the IUPAC name of propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene?
The IUPAC name of propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene (CID 143651334) is propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene.
What is the SMILES notation for propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene?
The canonical SMILES for propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene is C=C/C=C(\C=C/C)/C=C/C.CCC.
What is the InChIKey of propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene?
The InChIKey is OFPXUINLWFKBMA-QBOFHZKPSA-N. The full InChI is InChI=1S/C10H14.C3H8/c1-4-7-10(8-5-2)9-6-3;1-3-2/h4-9H,1H2,2-3H3;3H2,1-2H3/b8-5-,9-6+,10-7+;.
What are the key properties of propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene?
propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene has a molecular weight of 178.32 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(5Z)-4-[(E)-prop-1-enyl]hepta-1,3,5-triene is sourced from PubChem (CID 143651334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).