(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol

C15H24O — CID 157029052

IUPAC(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol
SMILESC=C/C=C\C=C(C)\C(CC)=C(/CO)CCC
InChIInChI=1S/C15H24O/c1-5-8-9-11-13(4)15(7-3)14(12-16)10-6-2/h5,8-9,11,16H,1,6-7,10,12H2,2-4H3/b9-8-,13-11+,15-14-
InChIKeyLMDQTKHIGPGQMH-USMRHOHYSA-N
MW220.36 g/mol
LogP4.17
Rot. Bonds7

About (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol

(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol (PubChem CID 157029052) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol.

Molecular Properties

Compound Name(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol
PubChem CID157029052
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol
SMILESC=C/C=C\C=C(C)\C(CC)=C(/CO)CCC
InChIInChI=1S/C15H24O/c1-5-8-9-11-13(4)15(7-3)14(12-16)10-6-2/h5,8-9,11,16H,1,6-7,10,12H2,2-4H3/b9-8-,13-11+,15-14-
InChIKeyLMDQTKHIGPGQMH-USMRHOHYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol with MolForge

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Related Compounds

(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
CID 89264860
bis(but-1-ene);(4Z,6E,8Z)-8-ethylidene-7-methylundeca-2,4,6-triene
CID 166119091
6-bromohepta-1,3,5-triene
CID 123654102
(3Z)-hepta-1,3-dien-4-ol
CID 23128228
ethane;(3Z,5E)-5-ethyl-6-methylnona-1,3,5-triene
CID 144652026
2-propylprop-1-ene-1,1,3-triol
CID 172738062
(2E,4E)-hepta-2,4,6-trien-2-ol
CID 173388700
(2Z,4E,6Z,8Z)-3,4-dimethylundeca-2,4,6,8,10-pentaen-2-amine
CID 167289416
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
(1E,3Z)-1-bromo-4-methyl-5-methylideneocta-1,3-diene
CID 146617133
(2E,4Z)-2-methylhepta-2,4,6-trienenitrile;propane
CID 144521597
butane;ethane;(4Z)-hepta-4,6-dien-2-one
CID 142062116

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol?
The IUPAC name of (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol (CID 157029052) is (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol.
What is the SMILES notation for (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol?
The canonical SMILES for (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol is C=C/C=C\C=C(C)\C(CC)=C(/CO)CCC.
What is the InChIKey of (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol?
The InChIKey is LMDQTKHIGPGQMH-USMRHOHYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-8-9-11-13(4)15(7-3)14(12-16)10-6-2/h5,8-9,11,16H,1,6-7,10,12H2,2-4H3/b9-8-,13-11+,15-14-.
What are the key properties of (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol?
(2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol has a molecular weight of 220.36 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6Z)-3-ethyl-4-methyl-2-propylnona-2,4,6,8-tetraen-1-ol is sourced from PubChem (CID 157029052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).