3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal

C12H24O3 — CID 174771936

IUPAC3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
SMILESCC(C)CC(O)C1CCCO1.CCC=O
InChIInChI=1S/C9H18O2.C3H6O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-3-4/h7-10H,3-6H2,1-2H3;3H,2H2,1H3
InChIKeyVWWUNLORYIGCOC-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.17
Rot. Bonds4

About 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal

3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal (PubChem CID 174771936) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
PubChem CID174771936
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
SMILESCC(C)CC(O)C1CCCO1.CCC=O
InChIInChI=1S/C9H18O2.C3H6O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-3-4/h7-10H,3-6H2,1-2H3;3H,2H2,1H3
InChIKeyVWWUNLORYIGCOC-UHFFFAOYSA-N
XLogP2.17
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.17
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

1-(oxolan-2-yl)ethanol;propanal
CID 174771711
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
2-amino-4-methyl-1-(oxolan-2-yl)pentan-1-ol
CID 82837323
(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
3-methyl-1-(oxiran-2-yl)butan-1-ol
CID 73110178
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal?
The IUPAC name of 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal (CID 174771936) is 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal.
What is the SMILES notation for 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal?
The canonical SMILES for 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal is CC(C)CC(O)C1CCCO1.CCC=O.
What is the InChIKey of 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal?
The InChIKey is VWWUNLORYIGCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2.C3H6O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-3-4/h7-10H,3-6H2,1-2H3;3H,2H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal?
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal has a molecular weight of 216.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal is sourced from PubChem (CID 174771936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).