(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane

C22H40 — CID 144696306

IUPAC(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane
SMILESC.C=CC(/C=C\CC)=C(C(=C)/C=C\C)\C(C)=C/C.CC.CC
InChIInChI=1S/C17H24.2C2H6.CH4/c1-7-11-13-16(10-4)17(14(5)9-3)15(6)12-8-2;2*1-2;/h8-13H,4,6-7H2,1-3,5H3;2*1-2H3;1H4/b12-8-,13-11-,14-9-,17-16-;;;
InChIKeyJHJXANFEDBCWBN-RBGNDGKJSA-N
MW304.56 g/mol
LogP8.22
Rot. Bonds6

About (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane

(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane (PubChem CID 144696306) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane.

Molecular Properties

Compound Name(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane
PubChem CID144696306
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane
SMILESC.C=CC(/C=C\CC)=C(C(=C)/C=C\C)\C(C)=C/C.CC.CC
InChIInChI=1S/C17H24.2C2H6.CH4/c1-7-11-13-16(10-4)17(14(5)9-3)15(6)12-8-2;2*1-2;/h8-13H,4,6-7H2,1-3,5H3;2*1-2H3;1H4/b12-8-,13-11-,14-9-,17-16-;;;
InChIKeyJHJXANFEDBCWBN-RBGNDGKJSA-N
XLogP8.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane with MolForge

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Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
4-ethenyl-3-ethylocta-3,5-diene
CID 91004805
(2Z,4Z)-3-[(Z)-prop-1-enyl]hepta-2,4-dien-2-amine
CID 166922206
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
ethane;(3Z,5Z)-4-[(E)-prop-1-enyl]octa-1,3,5-triene
CID 143078245
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
hexa-1,3-diene;4-methylidenehex-2-ene
CID 174375907
ethane;(3Z,5Z)-4-ethenyl-3-ethylhepta-1,3,5-triene
CID 143972745

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane?
The IUPAC name of (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane (CID 144696306) is (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane.
What is the SMILES notation for (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane?
The canonical SMILES for (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane is C.C=CC(/C=C\CC)=C(C(=C)/C=C\C)\C(C)=C/C.CC.CC.
What is the InChIKey of (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane?
The InChIKey is JHJXANFEDBCWBN-RBGNDGKJSA-N. The full InChI is InChI=1S/C17H24.2C2H6.CH4/c1-7-11-13-16(10-4)17(14(5)9-3)15(6)12-8-2;2*1-2;/h8-13H,4,6-7H2,1-3,5H3;2*1-2H3;1H4/b12-8-,13-11-,14-9-,17-16-;;;.
What are the key properties of (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane?
(2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane has a molecular weight of 304.56 g/mol, XLogP of 8.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-6-ethenyl-4-methylidenedeca-2,5,7-triene;ethane;methane is sourced from PubChem (CID 144696306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).