2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol

C17H24O2 — CID 70556140

IUPAC2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(C)=CCOCc1ccccc1
InChIInChI=1S/C17H24O2/c1-14(2)17(18)10-9-15(3)11-12-19-13-16-7-5-4-6-8-16/h4-8,11,17-18H,1,9-10,12-13H2,2-3H3
InChIKeyFWZWUBXYCAZZBT-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.87
Rot. Bonds8

About 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol

2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol (PubChem CID 70556140) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol.

Molecular Properties

Compound Name2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
PubChem CID70556140
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol
SMILESC=C(C)C(O)CCC(C)=CCOCc1ccccc1
InChIInChI=1S/C17H24O2/c1-14(2)17(18)10-9-15(3)11-12-19-13-16-7-5-4-6-8-16/h4-8,11,17-18H,1,9-10,12-13H2,2-3H3
InChIKeyFWZWUBXYCAZZBT-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.87
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

(6E)-6-methyl-8-phenylmethoxy-2-(phenylmethoxymethyl)octa-1,6-dien-3-ol
CID 14609864
[(2E)-6-chloro-3,7-dimethylocta-2,7-dienoxy]methylbenzene
CID 14603983
2,6-dimethyl-8-phenylmethoxyoct-6-ene-2,3-diol
CID 71340836
2-[(E)-4-methyl-6-phenylmethoxyhex-4-enyl]propane-1,3-diol
CID 101336587
[(E)-3-methylpent-2-enoxy]methylbenzene
CID 12622244
(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
[(2Z,6Z)-8-bromo-3,7-dimethylocta-2,6-dienoxy]methylbenzene
CID 102293653
(2E,6E,10E,14E)-1,1-dideuterio-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 11749906
(2E,6E)-2,6-dimethyl-8-phenylmethoxyocta-2,6-dienoic acid
CID 66896956
(1Z,3S,6E)-1-iodo-8-[(4-methoxyphenyl)methoxy]-2,6-dimethylocta-1,6-dien-3-ol
CID 102467318
[(3Z)-3-methyl-6-prop-1-en-2-yldeca-3,9-dienoxy]methylbenzene
CID 23256565
3-bromobut-2-enoxymethylbenzene
CID 85427694

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol?
The IUPAC name of 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol (CID 70556140) is 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol.
What is the SMILES notation for 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol?
The canonical SMILES for 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol is C=C(C)C(O)CCC(C)=CCOCc1ccccc1.
What is the InChIKey of 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol?
The InChIKey is FWZWUBXYCAZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-14(2)17(18)10-9-15(3)11-12-19-13-16-7-5-4-6-8-16/h4-8,11,17-18H,1,9-10,12-13H2,2-3H3.
What are the key properties of 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol?
2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol has a molecular weight of 260.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-ol is sourced from PubChem (CID 70556140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).