3-[2-(2-ethylhexoxy)octoxy]propan-1-ol

C19H40O3 — CID 87255802

IUPAC3-[2-(2-ethylhexoxy)octoxy]propan-1-ol
SMILESCCCCCCC(COCCCO)OCC(CC)CCCC
InChIInChI=1S/C19H40O3/c1-4-7-9-10-13-19(17-21-15-11-14-20)22-16-18(6-3)12-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyWNHZOEQYJQCNDR-UHFFFAOYSA-N
MW316.53 g/mol
LogP4.96
Rot. Bonds17

About 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol

3-[2-(2-ethylhexoxy)octoxy]propan-1-ol (PubChem CID 87255802) has the molecular formula C19H40O3 and a molecular weight of 316.53 g/mol. Its IUPAC name is 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-ethylhexoxy)octoxy]propan-1-ol
PubChem CID87255802
Molecular FormulaC19H40O3
Molecular Weight316.53 g/mol
Exact Mass316.30
IUPAC Name3-[2-(2-ethylhexoxy)octoxy]propan-1-ol
SMILESCCCCCCC(COCCCO)OCC(CC)CCCC
InChIInChI=1S/C19H40O3/c1-4-7-9-10-13-19(17-21-15-11-14-20)22-16-18(6-3)12-8-5-2/h18-20H,4-17H2,1-3H3
InChIKeyWNHZOEQYJQCNDR-UHFFFAOYSA-N
XLogP4.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.53
LogP ≤ 54.96
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

3-(3-ethyldecoxy)propan-1-ol
CID 22044187
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
3-(heptan-3-yloxymethyl)heptane
CID 90211738
1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
1-(2-dodecoxydecoxy)dodecane
CID 175347971
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
3-(2-phenylmethoxyoctadecoxy)propan-1-ol
CID 70438045
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
2-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol?
The IUPAC name of 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol (CID 87255802) is 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol.
What is the SMILES notation for 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol?
The canonical SMILES for 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol is CCCCCCC(COCCCO)OCC(CC)CCCC.
What is the InChIKey of 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol?
The InChIKey is WNHZOEQYJQCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O3/c1-4-7-9-10-13-19(17-21-15-11-14-20)22-16-18(6-3)12-8-5-2/h18-20H,4-17H2,1-3H3.
What are the key properties of 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol?
3-[2-(2-ethylhexoxy)octoxy]propan-1-ol has a molecular weight of 316.53 g/mol, XLogP of 4.96, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethylhexoxy)octoxy]propan-1-ol is sourced from PubChem (CID 87255802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).