(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol

C22H32O2 — CID 11163277

IUPAC(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/COCc1ccccc1)CO
InChIInChI=1S/C22H32O2/c1-19(10-8-12-21(3)17-23)9-7-11-20(2)15-16-24-18-22-13-5-4-6-14-22/h4-6,9,12-15,23H,7-8,10-11,16-18H2,1-3H3/b19-9+,20-15+,21-12+
InChIKeyLSEOITPKTVFFAM-GJLPZIKMSA-N
MW328.50 g/mol
LogP5.59
Rot. Bonds11

About (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol

(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol (PubChem CID 11163277) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
PubChem CID11163277
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
SMILESC/C(=C\CC/C(C)=C/CC/C(C)=C/COCc1ccccc1)CO
InChIInChI=1S/C22H32O2/c1-19(10-8-12-21(3)17-23)9-7-11-20(2)15-16-24-18-22-13-5-4-6-14-22/h4-6,9,12-15,23H,7-8,10-11,16-18H2,1-3H3/b19-9+,20-15+,21-12+
InChIKeyLSEOITPKTVFFAM-GJLPZIKMSA-N
XLogP5.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 55.59
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'}

Analyze (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol with MolForge

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Related Compounds

(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
8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 91227290
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
2,2-dimethyl-3-[(3E,7E,11E)-3,7,11-trimethyl-13-phenylmethoxytrideca-3,7,11-trienyl]oxirane
CID 11234877
2-[(E)-4-methyl-6-phenylmethoxyhex-4-enyl]propane-1,3-diol
CID 101336587
(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
CID 11219680
[(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
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
CID 70556140
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol?
The IUPAC name of (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol (CID 11163277) is (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol.
What is the SMILES notation for (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol?
The canonical SMILES for (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol is C/C(=C\CC/C(C)=C/CC/C(C)=C/COCc1ccccc1)CO.
What is the InChIKey of (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol?
The InChIKey is LSEOITPKTVFFAM-GJLPZIKMSA-N. The full InChI is InChI=1S/C22H32O2/c1-19(10-8-12-21(3)17-23)9-7-11-20(2)15-16-24-18-22-13-5-4-6-14-22/h4-6,9,12-15,23H,7-8,10-11,16-18H2,1-3H3/b19-9+,20-15+,21-12+.
What are the key properties of (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol?
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol has a molecular weight of 328.50 g/mol, XLogP of 5.59, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 11163277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).