(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane

C14H24 — CID 143713346

IUPAC(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane
SMILESC.C=CC/C=C(CC)\C(C)=C/C(=C)C
InChIInChI=1S/C13H20.CH4/c1-6-8-9-13(7-2)12(5)10-11(3)4;/h6,9-10H,1,3,7-8H2,2,4-5H3;1H4/b12-10-,13-9-;
InChIKeyKEBRURNMZRMBDL-SXNQYKMXSA-N
MW192.35 g/mol
LogP5.06
Rot. Bonds5

About (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane

(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane (PubChem CID 143713346) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane
PubChem CID143713346
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane
SMILESC.C=CC/C=C(CC)\C(C)=C/C(=C)C
InChIInChI=1S/C13H20.CH4/c1-6-8-9-13(7-2)12(5)10-11(3)4;/h6,9-10H,1,3,7-8H2,2,4-5H3;1H4/b12-10-,13-9-;
InChIKeyKEBRURNMZRMBDL-SXNQYKMXSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500192.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
5-bromohexa-1,4-diene
CID 173459747
2-methylpent-2-enoyl 2-methylhexa-2,5-dienoate
CID 173326603
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
but-1-ene;2-methylbut-1-ene
CID 90770104
2-methylbuta-1,3-diene;penta-1,4-diene
CID 22568286
(2Z,4Z)-3-ethyl-4-methyl-6-methylidenenona-2,4-diene
CID 171555067
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
3-methylhepta-1,3,6-triene
CID 71444747
(4E)-5-methylundeca-1,4-diene
CID 11126649
butane;but-1-ene;2-methylprop-1-ene
CID 158176864
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane?
The IUPAC name of (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane (CID 143713346) is (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane.
What is the SMILES notation for (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane?
The canonical SMILES for (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane is C.C=CC/C=C(CC)\C(C)=C/C(=C)C.
What is the InChIKey of (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane?
The InChIKey is KEBRURNMZRMBDL-SXNQYKMXSA-N. The full InChI is InChI=1S/C13H20.CH4/c1-6-8-9-13(7-2)12(5)10-11(3)4;/h6,9-10H,1,3,7-8H2,2,4-5H3;1H4/b12-10-,13-9-;.
What are the key properties of (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane?
(3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane has a molecular weight of 192.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-2,4-dimethylnona-1,3,5,8-tetraene;methane is sourced from PubChem (CID 143713346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).