1-(oxolan-2-yl)ethanol;propanal

C9H18O3 — CID 174771711

IUPAC1-(oxolan-2-yl)ethanol;propanal
SMILESCC(O)C1CCCO1.CCC=O
InChIInChI=1S/C6H12O2.C3H6O/c1-5(7)6-3-2-4-8-6;1-2-3-4/h5-7H,2-4H2,1H3;3H,2H2,1H3
InChIKeyXIZFYYQRXAQEPA-UHFFFAOYSA-N
MW174.24 g/mol
LogP1.14
Rot. Bonds2

About 1-(oxolan-2-yl)ethanol;propanal

1-(oxolan-2-yl)ethanol;propanal (PubChem CID 174771711) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(oxolan-2-yl)ethanol;propanal.

Molecular Properties

Compound Name1-(oxolan-2-yl)ethanol;propanal
PubChem CID174771711
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(oxolan-2-yl)ethanol;propanal
SMILESCC(O)C1CCCO1.CCC=O
InChIInChI=1S/C6H12O2.C3H6O/c1-5(7)6-3-2-4-8-6;1-2-3-4/h5-7H,2-4H2,1H3;3H,2H2,1H3
InChIKeyXIZFYYQRXAQEPA-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
2-(oxolan-2-yl)butanal
CID 84716261
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
4-hydroxy-3-methyl-4-(oxolan-2-yl)butan-2-one
CID 18338969
1-[(2S)-oxolan-2-yl]ethyl formate
CID 174825731
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
3-(oxolan-2-yl)butanoic acid
CID 3727496
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)ethanol;propanal?
The IUPAC name of 1-(oxolan-2-yl)ethanol;propanal (CID 174771711) is 1-(oxolan-2-yl)ethanol;propanal.
What is the SMILES notation for 1-(oxolan-2-yl)ethanol;propanal?
The canonical SMILES for 1-(oxolan-2-yl)ethanol;propanal is CC(O)C1CCCO1.CCC=O.
What is the InChIKey of 1-(oxolan-2-yl)ethanol;propanal?
The InChIKey is XIZFYYQRXAQEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C3H6O/c1-5(7)6-3-2-4-8-6;1-2-3-4/h5-7H,2-4H2,1H3;3H,2H2,1H3.
What are the key properties of 1-(oxolan-2-yl)ethanol;propanal?
1-(oxolan-2-yl)ethanol;propanal has a molecular weight of 174.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)ethanol;propanal is sourced from PubChem (CID 174771711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).