2-(2-prop-2-enoxypropoxy)propan-1-ol

C9H18O3 — CID 21288430

IUPAC2-(2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(C)COC(C)CO
InChIInChI=1S/C9H18O3/c1-4-5-11-9(3)7-12-8(2)6-10/h4,8-10H,1,5-7H2,2-3H3
InChIKeyCYCRHDVFRSNZKL-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.97
Rot. Bonds7

About 2-(2-prop-2-enoxypropoxy)propan-1-ol

2-(2-prop-2-enoxypropoxy)propan-1-ol (PubChem CID 21288430) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-(2-prop-2-enoxypropoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-prop-2-enoxypropoxy)propan-1-ol
PubChem CID21288430
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name2-(2-prop-2-enoxypropoxy)propan-1-ol
SMILESC=CCOC(C)COC(C)CO
InChIInChI=1S/C9H18O3/c1-4-5-11-9(3)7-12-8(2)6-10/h4,8-10H,1,5-7H2,2-3H3
InChIKeyCYCRHDVFRSNZKL-UHFFFAOYSA-N
XLogP0.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Glyceryl Allyl Ether
CID 78950
Propylene glycol, allyl ether
CID 14903
2-Propanol, 1,3-bis(2-propen-1-yloxy)-
CID 86908
2(or 3)-(2-Propen-1-yloxy)-1,?-propanediol
CID 91289
2-Propanol, 1-(1-methyl-2-(2-propenyloxy)ethoxy)-
CID 41674
2-Propanol, 1-allyloxy-3-isopropoxy-
CID 112464
1-Methoxy-3-(2-propen-1-yloxy)-2-propanol
CID 119795
2-Propanol, 1-(2-propenyloxy)-
CID 542178
1-Butoxy-3-[(prop-2-en-1-yl)oxy]propan-2-ol
CID 13805865
1-Propene, 3-(2-(2-methoxypropoxy)propoxy)-
CID 107063
2-(2-(2-Allyloxy-ethoxy)-ethoxy)-ethanol
CID 10511874
2-[(But-3-en-2-yl)oxy]ethan-1-ol
CID 14693003

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxypropoxy)propan-1-ol?
The IUPAC name of 2-(2-prop-2-enoxypropoxy)propan-1-ol (CID 21288430) is 2-(2-prop-2-enoxypropoxy)propan-1-ol.
What is the SMILES notation for 2-(2-prop-2-enoxypropoxy)propan-1-ol?
The canonical SMILES for 2-(2-prop-2-enoxypropoxy)propan-1-ol is C=CCOC(C)COC(C)CO.
What is the InChIKey of 2-(2-prop-2-enoxypropoxy)propan-1-ol?
The InChIKey is CYCRHDVFRSNZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-4-5-11-9(3)7-12-8(2)6-10/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 2-(2-prop-2-enoxypropoxy)propan-1-ol?
2-(2-prop-2-enoxypropoxy)propan-1-ol has a molecular weight of 174.24 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxypropoxy)propan-1-ol is sourced from PubChem (CID 21288430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).