ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene

C17H32 — CID 143006430

IUPACethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
SMILESC.C=C/C=C\C(\C=C/C)=C(/C)C=C.CC.CC
InChIInChI=1S/C12H16.2C2H6.CH4/c1-5-8-10-12(9-6-2)11(4)7-3;2*1-2;/h5-10H,1,3H2,2,4H3;2*1-2H3;1H4/b9-6-,10-8-,12-11+;;;
InChIKeyJPWSYCVELSRQNQ-DXUYDJDQSA-N
MW236.44 g/mol
LogP6.50
Rot. Bonds4

About ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene

ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene (PubChem CID 143006430) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene.

Molecular Properties

Compound Nameethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
PubChem CID143006430
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Nameethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
SMILESC.C=C/C=C\C(\C=C/C)=C(/C)C=C.CC.CC
InChIInChI=1S/C12H16.2C2H6.CH4/c1-5-8-10-12(9-6-2)11(4)7-3;2*1-2;/h5-10H,1,3H2,2,4H3;2*1-2H3;1H4/b9-6-,10-8-,12-11+;;;
InChIKeyJPWSYCVELSRQNQ-DXUYDJDQSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene with MolForge

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Related Compounds

(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
CID 143367842
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
3-acetyloxypropylphosphonic acid;methanamine;(3Z,5E,7Z)-6-methyl-5-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 145423658
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The IUPAC name of ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene (CID 143006430) is ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene.
What is the SMILES notation for ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The canonical SMILES for ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene is C.C=C/C=C\C(\C=C/C)=C(/C)C=C.CC.CC.
What is the InChIKey of ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
The InChIKey is JPWSYCVELSRQNQ-DXUYDJDQSA-N. The full InChI is InChI=1S/C12H16.2C2H6.CH4/c1-5-8-10-12(9-6-2)11(4)7-3;2*1-2;/h5-10H,1,3H2,2,4H3;2*1-2H3;1H4/b9-6-,10-8-,12-11+;;;.
What are the key properties of ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene?
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene has a molecular weight of 236.44 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene is sourced from PubChem (CID 143006430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).