(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol

C17H26O3 — CID 11219680

IUPAC(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
SMILESC/C(=C\CC[C@@](C)(O)CCOCc1ccccc1)CO
InChIInChI=1S/C17H26O3/c1-15(13-18)7-6-10-17(2,19)11-12-20-14-16-8-4-3-5-9-16/h3-5,7-9,18-19H,6,10-14H2,1-2H3/b15-7+/t17-/m1/s1
InChIKeyNCIHSEOYWGZTLN-SXKJYUOZSA-N
MW278.39 g/mol
LogP3.06
Rot. Bonds9

About (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol

(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol (PubChem CID 11219680) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol.

Molecular Properties

Compound Name(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
PubChem CID11219680
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol
SMILESC/C(=C\CC[C@@](C)(O)CCOCc1ccccc1)CO
InChIInChI=1S/C17H26O3/c1-15(13-18)7-6-10-17(2,19)11-12-20-14-16-8-4-3-5-9-16/h3-5,7-9,18-19H,6,10-14H2,1-2H3/b15-7+/t17-/m1/s1
InChIKeyNCIHSEOYWGZTLN-SXKJYUOZSA-N
XLogP3.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,6E,10E)-2,6,10-trimethyl-12-phenylmethoxydodeca-2,6,10-trien-1-ol
CID 11163277
(2E,7E)-2,5,5,8-tetramethyl-9-phenylmethoxynona-2,7-dien-1-ol
CID 102004119
[(3S,6E)-3-hydroxy-3,7,11-trimethyldodeca-6,10-dienyl] 2-phenylacetate
CID 11739851
(2E,4E)-2-methyl-8-phenylmethoxyocta-2,4-dien-1-ol
CID 10955854
7-methyl-9-phenylmethoxynon-4-yne-1,7-diol
CID 14544163
(3R)-1-(methoxymethoxy)-3-methyl-6-(phenylmethoxymethoxy)hexan-3-ol
CID 100990652
2-methyl-6-phenylmethoxyhexan-2-ol
CID 130681536
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
2-methyl-3-oxo-2-(2-phenylmethoxyethyl)butanenitrile
CID 130537416
(2S)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 101086068
(2R)-2-methyl-3-phenylmethoxypropane-1,2-diol
CID 11344600
8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 91227290

Frequently Asked Questions

What is the IUPAC name of (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol?
The IUPAC name of (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol (CID 11219680) is (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol.
What is the SMILES notation for (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol?
The canonical SMILES for (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol is C/C(=C\CC[C@@](C)(O)CCOCc1ccccc1)CO.
What is the InChIKey of (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol?
The InChIKey is NCIHSEOYWGZTLN-SXKJYUOZSA-N. The full InChI is InChI=1S/C17H26O3/c1-15(13-18)7-6-10-17(2,19)11-12-20-14-16-8-4-3-5-9-16/h3-5,7-9,18-19H,6,10-14H2,1-2H3/b15-7+/t17-/m1/s1.
What are the key properties of (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol?
(E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol has a molecular weight of 278.39 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-2,6-dimethyl-8-phenylmethoxyoct-2-ene-1,6-diol is sourced from PubChem (CID 11219680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).