6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol

C20H40O3 — CID 67872617

IUPAC6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
SMILESCCCCCCCCCCC1OCCOC1CCCCCCO
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-11-14-19-20(23-18-17-22-19)15-12-9-10-13-16-21/h19-21H,2-18H2,1H3
InChIKeyKPIIIRIKTYUFPK-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.24
Rot. Bonds15

About 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol

6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol (PubChem CID 67872617) has the molecular formula C20H40O3 and a molecular weight of 328.54 g/mol. Its IUPAC name is 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol.

Molecular Properties

Compound Name6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
PubChem CID67872617
Molecular FormulaC20H40O3
Molecular Weight328.54 g/mol
Exact Mass328.30
IUPAC Name6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol
SMILESCCCCCCCCCCC1OCCOC1CCCCCCO
InChIInChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-11-14-19-20(23-18-17-22-19)15-12-9-10-13-16-21/h19-21H,2-18H2,1H3
InChIKeyKPIIIRIKTYUFPK-UHFFFAOYSA-N
XLogP5.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(3-heptyloxiran-2-yl)nonan-1-ol
CID 102117929
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
CID 170849392
decan-1-ol;hydrofluoride
CID 158778674
3-(3-pentyloxiran-2-yl)propan-1-ol
CID 18506419
5-[(1R,2S)-2-decylcyclopropyl]pentan-1-ol
CID 10923562
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol?
The IUPAC name of 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol (CID 67872617) is 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol.
What is the SMILES notation for 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol?
The canonical SMILES for 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol is CCCCCCCCCCC1OCCOC1CCCCCCO.
What is the InChIKey of 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol?
The InChIKey is KPIIIRIKTYUFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-11-14-19-20(23-18-17-22-19)15-12-9-10-13-16-21/h19-21H,2-18H2,1H3.
What are the key properties of 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol?
6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol has a molecular weight of 328.54 g/mol, XLogP of 5.24, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-decyl-1,4-dioxan-2-yl)hexan-1-ol is sourced from PubChem (CID 67872617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).