(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane

C29H54 — CID 143385248

IUPAC(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
SMILESC=C/C=C\C(=C/C)C(C)(C(/C=C\C)=C/C)C(/C=C\C)=C/C.CC.CC.CC.CC
InChIInChI=1S/C21H30.4C2H6/c1-8-14-17-20(13-6)21(7,18(11-4)15-9-2)19(12-5)16-10-3;4*1-2/h8-17H,1H2,2-7H3;4*1-2H3/b15-9-,16-10-,17-14-,18-11+,19-12+,20-13+;;;;
InChIKeyGYQOVMHFUGPSJB-MFVXXKOISA-N
MW402.75 g/mol
LogP10.83
Rot. Bonds7

About (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane

(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane (PubChem CID 143385248) has the molecular formula C29H54 and a molecular weight of 402.75 g/mol. Its IUPAC name is (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane.

Molecular Properties

Compound Name(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
PubChem CID143385248
Molecular FormulaC29H54
Molecular Weight402.75 g/mol
Exact Mass402.42
IUPAC Name(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
SMILESC=C/C=C\C(=C/C)C(C)(C(/C=C\C)=C/C)C(/C=C\C)=C/C.CC.CC.CC.CC
InChIInChI=1S/C21H30.4C2H6/c1-8-14-17-20(13-6)21(7,18(11-4)15-9-2)19(12-5)16-10-3;4*1-2/h8-17H,1H2,2-7H3;4*1-2H3/b15-9-,16-10-,17-14-,18-11+,19-12+,20-13+;;;;
InChIKeyGYQOVMHFUGPSJB-MFVXXKOISA-N
XLogP10.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.75
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane with MolForge

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Related Compounds

ethane;(3E,6E,7Z)-6-ethylidene-5-ethynyl-4-[(Z)-prop-1-enyl]deca-1,3,7,9-tetraen-5-ol
CID 143661428
(3Z,5Z,6E)-5-ethylideneocta-1,3,6-triene
CID 142093033
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
6,6-dimethyl-5-methylidenehepta-1,3-diene
CID 72571250
(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143274377
ethane;(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001359
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819
(2Z,7Z)-4,6-dimethylidenedeca-2,7,9-trien-5-one;ethane;prop-1-ene
CID 144870179
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
ethane;[(3E,4Z)-3-ethylidene-1,1,1-trifluoro-2-(trifluoromethyl)hepta-4,6-dien-2-yl]benzene
CID 143793205
[(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 (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane?
The IUPAC name of (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane (CID 143385248) is (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane.
What is the SMILES notation for (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane?
The canonical SMILES for (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane is C=C/C=C\C(=C/C)C(C)(C(/C=C\C)=C/C)C(/C=C\C)=C/C.CC.CC.CC.CC.
What is the InChIKey of (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane?
The InChIKey is GYQOVMHFUGPSJB-MFVXXKOISA-N. The full InChI is InChI=1S/C21H30.4C2H6/c1-8-14-17-20(13-6)21(7,18(11-4)15-9-2)19(12-5)16-10-3;4*1-2/h8-17H,1H2,2-7H3;4*1-2H3/b15-9-,16-10-,17-14-,18-11+,19-12+,20-13+;;;;.
What are the key properties of (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane?
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane has a molecular weight of 402.75 g/mol, XLogP of 10.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane is sourced from PubChem (CID 143385248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).