1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol

C17H28O4 — CID 163973331

IUPAC1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol
SMILESCCCCC(C)(Oc1ccccc1)C(O)(OCC)OCC
InChIInChI=1S/C17H28O4/c1-5-8-14-16(4,17(18,19-6-2)20-7-3)21-15-12-10-9-11-13-15/h9-13,18H,5-8,14H2,1-4H3
InChIKeySRXWYIQIYKPBSQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.73
Rot. Bonds10

About 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol

1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol (PubChem CID 163973331) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol.

Molecular Properties

Compound Name1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol
PubChem CID163973331
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol
SMILESCCCCC(C)(Oc1ccccc1)C(O)(OCC)OCC
InChIInChI=1S/C17H28O4/c1-5-8-14-16(4,17(18,19-6-2)20-7-3)21-15-12-10-9-11-13-15/h9-13,18H,5-8,14H2,1-4H3
InChIKeySRXWYIQIYKPBSQ-UHFFFAOYSA-N
XLogP3.73
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

sodium;(1,2-diethoxy-3,3-dimethyloctan-2-yl)oxybenzene;hydride
CID 173396889
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1,1,2,2-tetraethoxy-2-[4-(2-methylheptan-2-yl)phenoxy]ethanol
CID 25022026
2-methyl-3-(2-phenoxyhexan-2-yloxy)prop-2-enoic acid
CID 91256129
1,1-diphenoxydecoxybenzene
CID 150135541
(3,3-dimethyl-2-phenoxybutan-2-yl) hexanoate
CID 67855209
2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-phenoxyhexanoic acid
CID 122611414
2-methylhexan-2-ylperoxybenzene
CID 151514509
2-pentyl-2-phenoxyheptanoic acid
CID 150989456
3-methyloct-1-yn-3-yloxybenzene
CID 10398427
2-phenoxyheptan-2-yl carbamate
CID 70560200
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol?
The IUPAC name of 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol (CID 163973331) is 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol.
What is the SMILES notation for 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol?
The canonical SMILES for 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol is CCCCC(C)(Oc1ccccc1)C(O)(OCC)OCC.
What is the InChIKey of 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol?
The InChIKey is SRXWYIQIYKPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-5-8-14-16(4,17(18,19-6-2)20-7-3)21-15-12-10-9-11-13-15/h9-13,18H,5-8,14H2,1-4H3.
What are the key properties of 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol?
1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol has a molecular weight of 296.41 g/mol, XLogP of 3.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-methyl-2-phenoxyhexan-1-ol is sourced from PubChem (CID 163973331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).