2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate

C24H40O2 — CID 91575554

IUPAC2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
SMILESCCCC(=O)OC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C24H40O2/c1-8-11-24(25)26-23(18-22(7)15-10-13-20(4)5)17-16-21(6)14-9-12-19(2)3/h12-13,16,18,23H,8-11,14-15,17H2,1-7H3
InChIKeyXQENHDMLGMKPLW-UHFFFAOYSA-N
MW360.58 g/mol
LogP7.47
Rot. Bonds12

About 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate

2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate (PubChem CID 91575554) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate.

Molecular Properties

Compound Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
PubChem CID91575554
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
SMILESCCCC(=O)OC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C
InChIInChI=1S/C24H40O2/c1-8-11-24(25)26-23(18-22(7)15-10-13-20(4)5)17-16-21(6)14-9-12-19(2)3/h12-13,16,18,23H,8-11,14-15,17H2,1-7H3
InChIKeyXQENHDMLGMKPLW-UHFFFAOYSA-N
XLogP7.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] tridecanoate
CID 174419764
bis[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] pentanedioate
CID 87993813
[9-(2,6-dimethylhepta-1,5-dienyl)-2,6-dimethyl-25-oxo-25-(2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yloxy)pentacosa-2,6-dien-10-yl] 17-(2,6-dimethylhepta-1,5-dienyl)-16-hexadecanoyloxy-20,24-dimethylpentacosa-19,23-dienoate
CID 57276463
4,8-dimethylnona-3,7-dien-2-yl butanoate
CID 71367305
[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-yl] butanoate
CID 147657176
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] (2E,4E,6E,8E,10E)-docosa-2,4,6,8,10-pentaenoate
CID 87586510
5,9,13-trimethyl-2-(2,6,10-trimethylundeca-1,5,9-trienyl)tetradeca-4,8,12-trienoic acid
CID 54509422
3-[[3-[(6E)-2,6-dimethyldocosa-2,6-dien-8-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid
CID 177068347
4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
CID 174852652
(2E)-3,7-dimethylocta-2,6-dien-1-ol;propan-2-yl tetradecanoate
CID 46913634
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076

Frequently Asked Questions

What is the IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate?
The IUPAC name of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate (CID 91575554) is 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate.
What is the SMILES notation for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate?
The canonical SMILES for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate is CCCC(=O)OC(C=C(C)CCC=C(C)C)CC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate?
The InChIKey is XQENHDMLGMKPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-8-11-24(25)26-23(18-22(7)15-10-13-20(4)5)17-16-21(6)14-9-12-19(2)3/h12-13,16,18,23H,8-11,14-15,17H2,1-7H3.
What are the key properties of 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate?
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate has a molecular weight of 360.58 g/mol, XLogP of 7.47, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate is sourced from PubChem (CID 91575554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).