8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol

C29H44O2 — CID 91227290

IUPAC8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
SMILESCCC(C=C(C)CCC=C(C)CO)CC(C)=CCCC(C)=CCOCc1ccccc1
InChIInChI=1S/C29H44O2/c1-6-28(21-26(4)14-11-15-27(5)22-30)20-25(3)13-10-12-24(2)18-19-31-23-29-16-8-7-9-17-29/h7-9,13,15-18,21,28,30H,6,10-12,14,19-20,22-23H2,1-5H3
InChIKeyMJBNEGJJEYJDMF-UHFFFAOYSA-N
MW424.67 g/mol
LogP7.96
Rot. Bonds15

About 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol

8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol (PubChem CID 91227290) has the molecular formula C29H44O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol.

Molecular Properties

Compound Name8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
PubChem CID91227290
Molecular FormulaC29H44O2
Molecular Weight424.67 g/mol
Exact Mass424.33
IUPAC Name8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
SMILESCCC(C=C(C)CCC=C(C)CO)CC(C)=CCCC(C)=CCOCc1ccccc1
InChIInChI=1S/C29H44O2/c1-6-28(21-26(4)14-11-15-27(5)22-30)20-25(3)13-10-12-24(2)18-19-31-23-29-16-8-7-9-17-29/h7-9,13,15-18,21,28,30H,6,10-12,14,19-20,22-23H2,1-5H3
InChIKeyMJBNEGJJEYJDMF-UHFFFAOYSA-N
XLogP7.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.67
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
[(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
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylmethoxytrideca-3,7,11-trienyl]oxirane
CID 11234877
ethyl (2E,6Z,10E)-4-(dimethylamino)-6,10-dimethyl-12-phenylmethoxydodeca-2,6,10-trienoate
CID 15664331
2-[(E)-4-methyl-6-phenylmethoxyhex-4-enyl]propane-1,3-diol
CID 101336587
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol?
The IUPAC name of 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol (CID 91227290) is 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol.
What is the SMILES notation for 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol?
The canonical SMILES for 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol is CCC(C=C(C)CCC=C(C)CO)CC(C)=CCCC(C)=CCOCc1ccccc1.
What is the InChIKey of 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol?
The InChIKey is MJBNEGJJEYJDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44O2/c1-6-28(21-26(4)14-11-15-27(5)22-30)20-25(3)13-10-12-24(2)18-19-31-23-29-16-8-7-9-17-29/h7-9,13,15-18,21,28,30H,6,10-12,14,19-20,22-23H2,1-5H3.
What are the key properties of 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol?
8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol has a molecular weight of 424.67 g/mol, XLogP of 7.96, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol is sourced from PubChem (CID 91227290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).