2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol

C12H26O4 — CID 172703318

IUPAC2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
SMILESCC(C)CCCCCOC(O)COCCO
InChIInChI=1S/C12H26O4/c1-11(2)6-4-3-5-8-16-12(14)10-15-9-7-13/h11-14H,3-10H2,1-2H3
InChIKeyDGFDCMPBUGHVFM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.55
Rot. Bonds11

About 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol

2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol (PubChem CID 172703318) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
PubChem CID172703318
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol
SMILESCC(C)CCCCCOC(O)COCCO
InChIInChI=1S/C12H26O4/c1-11(2)6-4-3-5-8-16-12(14)10-15-9-7-13/h11-14H,3-10H2,1-2H3
InChIKeyDGFDCMPBUGHVFM-UHFFFAOYSA-N
XLogP1.55
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]-1-pentadecoxyethanol
CID 158422063
1-dodecoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87802257
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-3-(16-methylheptadecoxy)butanoic acid
CID 54531083
1-(17-methyloctadecoxy)ethanol
CID 87458732
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515
1-(2-ethoxyethoxy)-2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 151784602

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol?
The IUPAC name of 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol (CID 172703318) is 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol.
What is the SMILES notation for 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol?
The canonical SMILES for 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol is CC(C)CCCCCOC(O)COCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol?
The InChIKey is DGFDCMPBUGHVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-11(2)6-4-3-5-8-16-12(14)10-15-9-7-13/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol?
2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol has a molecular weight of 234.34 g/mol, XLogP of 1.55, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)-1-(6-methylheptoxy)ethanol is sourced from PubChem (CID 172703318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).