2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol

C19H40O4 — CID 151738509

IUPAC2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol
SMILESCCCCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO
InChIInChI=1S/C19H40O4/c1-8-9-10-11-15(2)19(6,7)23-18(5)14-22-17(4)13-21-16(3)12-20/h15-18,20H,8-14H2,1-7H3
InChIKeyRMAMEBWFKSHXQP-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.19
Rot. Bonds14

About 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol

2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol (PubChem CID 151738509) has the molecular formula C19H40O4 and a molecular weight of 332.53 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol
PubChem CID151738509
Molecular FormulaC19H40O4
Molecular Weight332.53 g/mol
Exact Mass332.29
IUPAC Name2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol
SMILESCCCCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO
InChIInChI=1S/C19H40O4/c1-8-9-10-11-15(2)19(6,7)23-18(5)14-22-17(4)13-21-16(3)12-20/h15-18,20H,8-14H2,1-7H3
InChIKeyRMAMEBWFKSHXQP-UHFFFAOYSA-N
XLogP4.19
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.19
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

2-[2-[2-(2,3-dimethylhexan-2-yloxy)propoxy]propoxy]propan-1-ol
CID 152502599
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-(2-heptoxypropoxy)propan-1-ol
CID 90302123
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2,3,4-trimethylpentan-2-yloxy)propoxy]propan-1-ol
CID 142712388
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-(2-decan-5-yloxypropoxy)propan-1-ol
CID 139806378
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
2-(2,3-dimethyloctan-2-yloxy)ethanol
CID 142712474

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol (CID 151738509) is 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol is CCCCCC(C)C(C)(C)OC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol?
The InChIKey is RMAMEBWFKSHXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40O4/c1-8-9-10-11-15(2)19(6,7)23-18(5)14-22-17(4)13-21-16(3)12-20/h15-18,20H,8-14H2,1-7H3.
What are the key properties of 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol?
2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol has a molecular weight of 332.53 g/mol, XLogP of 4.19, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dimethyloctan-2-yloxy)propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 151738509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).