2-(2-heptoxypropoxy)propan-1-ol

C13H28O3 — CID 90302123

IUPAC2-(2-heptoxypropoxy)propan-1-ol
SMILESCCCCCCCOC(C)COC(C)CO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-9-15-13(3)11-16-12(2)10-14/h12-14H,4-11H2,1-3H3
InChIKeyKYWOLPRBJOAYEI-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.76
Rot. Bonds11

About 2-(2-heptoxypropoxy)propan-1-ol

2-(2-heptoxypropoxy)propan-1-ol (PubChem CID 90302123) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 2-(2-heptoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-heptoxypropoxy)propan-1-ol
PubChem CID90302123
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name2-(2-heptoxypropoxy)propan-1-ol
SMILESCCCCCCCOC(C)COC(C)CO
InChIInChI=1S/C13H28O3/c1-4-5-6-7-8-9-15-13(3)11-16-12(2)10-14/h12-14H,4-11H2,1-3H3
InChIKeyKYWOLPRBJOAYEI-UHFFFAOYSA-N
XLogP2.76
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2-decoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 139973297
2-[2-[2-[2-(2-octadecoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 11478535
2-[2-(2-tetradecoxypropoxy)propoxy]propan-1-ol
CID 11234638
2-[2-(2-hexoxypropoxy)propoxy]propan-1-ol
CID 87247027
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
methane;2-octadecoxypropan-1-ol
CID 178185801
2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 101170306
1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]hexane
CID 140766817
2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
2-[2-(6-methylheptoxy)propoxy]propan-1-ol
CID 154124865
1-[2-(2-decoxypropoxy)propoxy]decane
CID 19693399

Frequently Asked Questions

What is the IUPAC name of 2-(2-heptoxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-heptoxypropoxy)propan-1-ol (CID 90302123) is 2-(2-heptoxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-heptoxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-heptoxypropoxy)propan-1-ol is CCCCCCCOC(C)COC(C)CO.
What is the InChIKey of 2-(2-heptoxypropoxy)propan-1-ol?
The InChIKey is KYWOLPRBJOAYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3/c1-4-5-6-7-8-9-15-13(3)11-16-12(2)10-14/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(2-heptoxypropoxy)propan-1-ol?
2-(2-heptoxypropoxy)propan-1-ol has a molecular weight of 232.36 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-heptoxypropoxy)propan-1-ol is sourced from PubChem (CID 90302123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).