(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene

C13H22 — CID 145116686

IUPAC(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
SMILESC=C(C)/C(=C\C=C/C)CC(C)CC
InChIInChI=1S/C13H22/c1-6-8-9-13(11(3)4)10-12(5)7-2/h6,8-9,12H,3,7,10H2,1-2,4-5H3/b8-6-,13-9-
InChIKeyYBYWRJRKERQBLA-OBICBMLSSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds5

About (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene

(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene (PubChem CID 145116686) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
PubChem CID145116686
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene
SMILESC=C(C)/C(=C\C=C/C)CC(C)CC
InChIInChI=1S/C13H22/c1-6-8-9-13(11(3)4)10-12(5)7-2/h6,8-9,12H,3,7,10H2,1-2,4-5H3/b8-6-,13-9-
InChIKeyYBYWRJRKERQBLA-OBICBMLSSA-N
XLogP4.50
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 ≤ 54.50
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

5-ethyl-7-methylnona-2,4-diene
CID 123846326
(2Z,4Z)-5-(1-chloroethenyl)-7-methyldeca-2,4-diene
CID 143267861
(2E,4Z)-N-methyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142839677
3-ethyl-5-methylhept-2-ene
CID 90962982
ethane;2-methylbutane;(4E)-2-methylhexa-2,4-diene;2-methylpropane;prop-1-ene
CID 153392422
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424
2-chloro-4-methylhex-1-ene
CID 15153636
ethane;3-methylpentane;(3Z)-penta-1,3-diene;propane
CID 142901462
(2Z,4E)-5,9-dimethyldodeca-2,4-diene
CID 143714794
acetylene;butane;decane;ethane;ethylcyclopropane;(4Z,6Z)-2-methyl-4-prop-1-en-2-ylocta-1,4,6-triene;(2E,7Z)-3,6,9-trimethyltrideca-2,7-diene
CID 144513908
6-ethyl-5,8-dimethylnona-2,4-diene
CID 123215869
5,6-dimethyldeca-2,4-diene
CID 91470784

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene?
The IUPAC name of (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene (CID 145116686) is (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene.
What is the SMILES notation for (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene?
The canonical SMILES for (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene is C=C(C)/C(=C\C=C/C)CC(C)CC.
What is the InChIKey of (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene?
The InChIKey is YBYWRJRKERQBLA-OBICBMLSSA-N. The full InChI is InChI=1S/C13H22/c1-6-8-9-13(11(3)4)10-12(5)7-2/h6,8-9,12H,3,7,10H2,1-2,4-5H3/b8-6-,13-9-.
What are the key properties of (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene?
(2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-7-methyl-5-prop-1-en-2-ylnona-2,4-diene is sourced from PubChem (CID 145116686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).