ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane

C32H50 — CID 143388689

IUPACethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
SMILESC=C/C=C(/C(=C)/C=C\C=C/C)C(=C)C(=C)/C=C/C(=C)/C(=C/C=C)CC.CC.CC.CCC
InChIInChI=1S/C25H30.C3H8.2C2H6/c1-9-13-14-17-22(7)25(16-11-3)23(8)20(5)18-19-21(6)24(12-4)15-10-2;1-3-2;2*1-2/h9-11,13-19H,2-3,5-8,12H2,1,4H3;3H2,1-2H3;2*1-2H3/b13-9-,17-14-,19-18-,24-15+,25-16-;;;
InChIKeyBRHRUCHPSBFSSF-LGOTUPEUSA-N
MW434.75 g/mol
LogP11.00
Rot. Bonds11

About ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane

ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane (PubChem CID 143388689) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane.

Molecular Properties

Compound Nameethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
PubChem CID143388689
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Nameethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane
SMILESC=C/C=C(/C(=C)/C=C\C=C/C)C(=C)C(=C)/C=C/C(=C)/C(=C/C=C)CC.CC.CC.CCC
InChIInChI=1S/C25H30.C3H8.2C2H6/c1-9-13-14-17-22(7)25(16-11-3)23(8)20(5)18-19-21(6)24(12-4)15-10-2;1-3-2;2*1-2/h9-11,13-19H,2-3,5-8,12H2,1,4H3;3H2,1-2H3;2*1-2H3/b13-9-,17-14-,19-18-,24-15+,25-16-;;;
InChIKeyBRHRUCHPSBFSSF-LGOTUPEUSA-N
XLogP11.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane with MolForge

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Related Compounds

ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491
(2E,5Z)-N-methyl-3,4-dimethylidene-2-prop-2-enylideneocta-5,7-dien-1-amine
CID 143109442
(3E,5E,7E)-4-ethylnona-1,3,5,7-tetraene
CID 143912648
ethane;(5Z,7Z)-4-methylidenenona-5,7-dien-3-one
CID 177053569
ethane;methane;(2Z,4Z)-6-methylideneocta-2,4-diene
CID 143380166
(3E,5E,6Z)-4-ethyl-5-ethylidenenona-1,3,6,8-tetraene
CID 143006429
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280
ethane;penta-1,3-diene;propane
CID 143367111
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(3Z,5E,6E,8Z)-6-ethyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 177369316
(3E,5Z,7Z)-4-ethenylnona-1,3,5,7-tetraene
CID 155698578

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane?
The IUPAC name of ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane (CID 143388689) is ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane.
What is the SMILES notation for ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane?
The canonical SMILES for ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane is C=C/C=C(/C(=C)/C=C\C=C/C)C(=C)C(=C)/C=C/C(=C)/C(=C/C=C)CC.CC.CC.CCC.
What is the InChIKey of ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane?
The InChIKey is BRHRUCHPSBFSSF-LGOTUPEUSA-N. The full InChI is InChI=1S/C25H30.C3H8.2C2H6/c1-9-13-14-17-22(7)25(16-11-3)23(8)20(5)18-19-21(6)24(12-4)15-10-2;1-3-2;2*1-2/h9-11,13-19H,2-3,5-8,12H2,1,4H3;3H2,1-2H3;2*1-2H3/b13-9-,17-14-,19-18-,24-15+,25-16-;;;.
What are the key properties of ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane?
ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane has a molecular weight of 434.75 g/mol, XLogP of 11.00, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,6Z,10Z,12Z,14Z)-4-ethyl-5,8,9,11-tetramethylidene-10-prop-2-enylidenehexadeca-1,3,6,12,14-pentaene;propane is sourced from PubChem (CID 143388689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).