1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

C23H48O4 — CID 19370005

IUPAC1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-22(3)27-20-23(4)26-18-21(2)24/h21-24H,5-20H2,1-4H3
InChIKeyJKHBSEMWNFTGPM-UHFFFAOYSA-N
MW388.63 g/mol
LogP5.90
Rot. Bonds21

About 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol

1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (PubChem CID 19370005) has the molecular formula C23H48O4 and a molecular weight of 388.63 g/mol. Its IUPAC name is 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
PubChem CID19370005
Molecular FormulaC23H48O4
Molecular Weight388.63 g/mol
Exact Mass388.36
IUPAC Name1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
SMILESCCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O
InChIInChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-22(3)27-20-23(4)26-18-21(2)24/h21-24H,5-20H2,1-4H3
InChIKeyJKHBSEMWNFTGPM-UHFFFAOYSA-N
XLogP5.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.63
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Nonaethylene Glycol Monododecyl Ether
CID 656641
Batyl Alcohol
CID 3681
2-(Dodecyloxy)ethanol
CID 24750
Polyethylene Glycol Cetyl Ether
CID 2724259
Ethylene glycol monooctadecyl ether
CID 75050
1-O-Hexadecylglycerol
CID 72733
Chimyl Alcohol
CID 10448487
1,2-Hexadecanediol
CID 98037
Laureth-2
CID 76457
2-(2-(2-(Dodecyloxy)ethoxy)ethoxy)ethanol
CID 76458
3,6,9,12,15,18-Hexaoxatriacontan-1-ol
CID 18282
C12E8
CID 123921

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The IUPAC name of 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol (CID 19370005) is 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol.
What is the SMILES notation for 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The canonical SMILES for 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is CCCCCCCCCCCCCCOCC(C)OCC(C)OCC(C)O.
What is the InChIKey of 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
The InChIKey is JKHBSEMWNFTGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-25-19-22(3)27-20-23(4)26-18-21(2)24/h21-24H,5-20H2,1-4H3.
What are the key properties of 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol?
1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol has a molecular weight of 388.63 g/mol, XLogP of 5.90, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-tetradecoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol is sourced from PubChem (CID 19370005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).