1-(oxolan-2-yl)-2-propan-2-yloxyethanol

C9H18O3 — CID 79567883

IUPAC1-(oxolan-2-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)C1CCCO1
InChIInChI=1S/C9H18O3/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-10H,3-6H2,1-2H3
InChIKeyTVICSATZFUJMCI-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.95
Rot. Bonds4

About 1-(oxolan-2-yl)-2-propan-2-yloxyethanol

1-(oxolan-2-yl)-2-propan-2-yloxyethanol (PubChem CID 79567883) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-2-propan-2-yloxyethanol.

Molecular Properties

Compound Name1-(oxolan-2-yl)-2-propan-2-yloxyethanol
PubChem CID79567883
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name1-(oxolan-2-yl)-2-propan-2-yloxyethanol
SMILESCC(C)OCC(O)C1CCCO1
InChIInChI=1S/C9H18O3/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-10H,3-6H2,1-2H3
InChIKeyTVICSATZFUJMCI-UHFFFAOYSA-N
XLogP0.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
CID 115821566
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-2-propan-2-yloxyethanol?
The IUPAC name of 1-(oxolan-2-yl)-2-propan-2-yloxyethanol (CID 79567883) is 1-(oxolan-2-yl)-2-propan-2-yloxyethanol.
What is the SMILES notation for 1-(oxolan-2-yl)-2-propan-2-yloxyethanol?
The canonical SMILES for 1-(oxolan-2-yl)-2-propan-2-yloxyethanol is CC(C)OCC(O)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-2-propan-2-yloxyethanol?
The InChIKey is TVICSATZFUJMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-7(2)12-6-8(10)9-4-3-5-11-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-2-propan-2-yloxyethanol?
1-(oxolan-2-yl)-2-propan-2-yloxyethanol has a molecular weight of 174.24 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-2-propan-2-yloxyethanol is sourced from PubChem (CID 79567883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).