(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene

C13H22 — CID 171555067

IUPAC(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C(C)\C(=C/C)CC)CCC
InChIInChI=1S/C13H22/c1-6-9-11(4)10-12(5)13(7-2)8-3/h7,10H,4,6,8-9H2,1-3,5H3/b12-10-,13-7-
InChIKeySXRFNWSWNYNDOO-NDFWULPDSA-N
MW178.32 g/mol
LogP4.65
Rot. Bonds5

About (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene

(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene (PubChem CID 171555067) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
PubChem CID171555067
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
SMILESC=C(/C=C(C)\C(=C/C)CC)CCC
InChIInChI=1S/C13H22/c1-6-9-11(4)10-12(5)13(7-2)8-3/h7,10H,4,6,8-9H2,1-3,5H3/b12-10-,13-7-
InChIKeySXRFNWSWNYNDOO-NDFWULPDSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.65
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)-5-ethyl-2,4-dimethylhepta-1,3,5-triene
CID 144632740
(E)-2-bromo-4-methylidenehept-2-ene
CID 139476034
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
(2E,4E)-4-ethyl-3-methylhexa-2,4-dienamide
CID 14329806
(2Z,4Z)-4-methyl-6-methylidenedeca-2,4-diene
CID 142960534
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
(Z,5Z)-5-ethylidene-4-methylideneoct-2-ene
CID 166467413
ethane;(3E)-4-ethyl-2-methylhepta-1,3-diene
CID 168939588
(3Z,5Z)-3-ethyl-5-methylhepta-1,3,5-trien-2-ol
CID 142260565
(2E,5E)-3-ethyl-5,9-dimethyldeca-2,5,9-trien-4-one
CID 10878320

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene?
The IUPAC name of (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene (CID 171555067) is (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene?
The canonical SMILES for (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene is C=C(/C=C(C)\C(=C/C)CC)CCC.
What is the InChIKey of (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene?
The InChIKey is SXRFNWSWNYNDOO-NDFWULPDSA-N. The full InChI is InChI=1S/C13H22/c1-6-9-11(4)10-12(5)13(7-2)8-3/h7,10H,4,6,8-9H2,1-3,5H3/b12-10-,13-7-.
What are the key properties of (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene?
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene has a molecular weight of 178.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene is sourced from PubChem (CID 171555067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).