2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol

C33H68O6 — CID 131740227

IUPAC2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol
SMILESCCCCCCCCCCCCOCC(COCCO)(COCCO)COCCCCCCCCCCCC
InChIInChI=1S/C33H68O6/c1-3-5-7-9-11-13-15-17-19-21-25-36-29-33(31-38-27-23-34,32-39-28-24-35)30-37-26-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3
InChIKeyNAECDMPZDZYNIO-UHFFFAOYSA-N
MW560.90 g/mol
LogP7.87
Rot. Bonds34

About 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol

2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol (PubChem CID 131740227) has the molecular formula C33H68O6 and a molecular weight of 560.90 g/mol. Its IUPAC name is 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol.

Molecular Properties

Compound Name2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol
PubChem CID131740227
Molecular FormulaC33H68O6
Molecular Weight560.90 g/mol
Exact Mass560.50
IUPAC Name2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol
SMILESCCCCCCCCCCCCOCC(COCCO)(COCCO)COCCCCCCCCCCCC
InChIInChI=1S/C33H68O6/c1-3-5-7-9-11-13-15-17-19-21-25-36-29-33(31-38-27-23-34,32-39-28-24-35)30-37-26-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3
InChIKeyNAECDMPZDZYNIO-UHFFFAOYSA-N
XLogP7.87
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.90
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[3-decoxy-2,2-bis(decoxymethyl)propoxy]propan-1-ol
CID 142743710
2-dodecoxyethanol
CID 24750
2-tetradecoxyethanol
CID 16491
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594676
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-[2-(2-hexadecoxyethoxy)ethoxy]ethanol
CID 4639427

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol?
The IUPAC name of 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol (CID 131740227) is 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol.
What is the SMILES notation for 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol?
The canonical SMILES for 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol is CCCCCCCCCCCCOCC(COCCO)(COCCO)COCCCCCCCCCCCC.
What is the InChIKey of 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol?
The InChIKey is NAECDMPZDZYNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68O6/c1-3-5-7-9-11-13-15-17-19-21-25-36-29-33(31-38-27-23-34,32-39-28-24-35)30-37-26-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-32H2,1-2H3.
What are the key properties of 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol?
2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol has a molecular weight of 560.90 g/mol, XLogP of 7.87, 34 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(dodecoxymethyl)-3-(2-hydroxyethoxy)propoxy]ethanol is sourced from PubChem (CID 131740227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).