[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene

C27H40O — CID 70359002

IUPAC[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OCc1ccccc1
InChIInChI=1S/C27H40O/c1-22(2)12-10-14-24(5)18-19-27(20-25(6)15-11-13-23(3)4)28-21-26-16-8-7-9-17-26/h7-9,12-13,16-18,20,27H,10-11,14-15,19,21H2,1-6H3/b24-18+,25-20+
InChIKeyKLLQLPZIJAUYNI-OQAQWEHRSA-N
MW380.62 g/mol
LogP8.35
Rot. Bonds12

About [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene

[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene (PubChem CID 70359002) has the molecular formula C27H40O and a molecular weight of 380.62 g/mol. Its IUPAC name is [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
PubChem CID70359002
Molecular FormulaC27H40O
Molecular Weight380.62 g/mol
Exact Mass380.31
IUPAC Name[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene
SMILESCC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OCc1ccccc1
InChIInChI=1S/C27H40O/c1-22(2)12-10-14-24(5)18-19-27(20-25(6)15-11-13-23(3)4)28-21-26-16-8-7-9-17-26/h7-9,12-13,16-18,20,27H,10-11,14-15,19,21H2,1-6H3/b24-18+,25-20+
InChIKeyKLLQLPZIJAUYNI-OQAQWEHRSA-N
XLogP8.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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] benzenesulfonate
CID 89466477
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
benzyl acetate;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 67892441
[(2E)-3,7-dimethyl-1-phenoxyocta-2,6-dienoxy]benzene
CID 70357331
(5E)-6,10-dimethyl-1-phenylundeca-5,9-dien-4-ol
CID 71663930
bis[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] pentanedioate
CID 87993813
[(3E)-4,8-dimethyl-1-phenylsulfanylnona-3,7-dien-2-yl] acetate
CID 11758966
[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyl-1-phenylmethoxytetracosa-2,6,10,14,18,22-hexaen-9-yl]sulfanylbenzene
CID 10531991
[(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-yl] (2S)-2-methoxy-2-phenylacetate
CID 11058683
2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl butanoate
CID 91575554
3-(4-hydroxyphenyl)-2-oxopropanoic acid;methyl acetate;[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] (E)-3-phenylprop-2-enoate
CID 67563706
(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 [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene?
The IUPAC name of [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene (CID 70359002) is [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene.
What is the SMILES notation for [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene?
The canonical SMILES for [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene is CC(C)=CCC/C(C)=C/CC(/C=C(\C)CCC=C(C)C)OCc1ccccc1.
What is the InChIKey of [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene?
The InChIKey is KLLQLPZIJAUYNI-OQAQWEHRSA-N. The full InChI is InChI=1S/C27H40O/c1-22(2)12-10-14-24(5)18-19-27(20-25(6)15-11-13-23(3)4)28-21-26-16-8-7-9-17-26/h7-9,12-13,16-18,20,27H,10-11,14-15,19,21H2,1-6H3/b24-18+,25-20+.
What are the key properties of [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene?
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene has a molecular weight of 380.62 g/mol, XLogP of 8.35, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]oxymethylbenzene is sourced from PubChem (CID 70359002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).