3-(3-ethyldecoxy)propan-1-ol

C15H32O2 — CID 22044187

IUPAC3-(3-ethyldecoxy)propan-1-ol
SMILESCCCCCCCC(CC)CCOCCCO
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-10-15(4-2)11-14-17-13-9-12-16/h15-16H,3-14H2,1-2H3
InChIKeyBOMYYCZTFPVNFE-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.16
Rot. Bonds13

About 3-(3-ethyldecoxy)propan-1-ol

3-(3-ethyldecoxy)propan-1-ol (PubChem CID 22044187) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 3-(3-ethyldecoxy)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethyldecoxy)propan-1-ol
PubChem CID22044187
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name3-(3-ethyldecoxy)propan-1-ol
SMILESCCCCCCCC(CC)CCOCCCO
InChIInChI=1S/C15H32O2/c1-3-5-6-7-8-10-15(4-2)11-14-17-13-9-12-16/h15-16H,3-14H2,1-2H3
InChIKeyBOMYYCZTFPVNFE-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(3-ethylnonoxy)ethoxy]ethoxy]ethanol
CID 176653087
2-[2-[2-[2-[2-(4-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 176653005
2-[2-(5-ethyldecoxy)ethoxy]ethanol
CID 176653086
4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231
2-[2-[2-[2-(7-ethyldecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 176652982
azane;3-ethylhenicosan-1-ol
CID 174815540
2-(4-butyldecoxy)ethanol
CID 166649163
3-[2-(2-ethylhexoxy)octoxy]propan-1-ol
CID 87255802
2-[2-(5-ethyloctoxy)ethoxy]ethanol
CID 176653109
2-[2-(7-ethylnonoxy)ethoxy]ethanol
CID 176653244
12-ethylhentriacontane
CID 91805956

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyldecoxy)propan-1-ol?
The IUPAC name of 3-(3-ethyldecoxy)propan-1-ol (CID 22044187) is 3-(3-ethyldecoxy)propan-1-ol.
What is the SMILES notation for 3-(3-ethyldecoxy)propan-1-ol?
The canonical SMILES for 3-(3-ethyldecoxy)propan-1-ol is CCCCCCCC(CC)CCOCCCO.
What is the InChIKey of 3-(3-ethyldecoxy)propan-1-ol?
The InChIKey is BOMYYCZTFPVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-3-5-6-7-8-10-15(4-2)11-14-17-13-9-12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-(3-ethyldecoxy)propan-1-ol?
3-(3-ethyldecoxy)propan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 4.16, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyldecoxy)propan-1-ol is sourced from PubChem (CID 22044187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).