(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol

C10H22O4 — CID 142398679

IUPAC(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
SMILESCC(C)(O)O.CC[C@H](O)C1CCCO1
InChIInChI=1S/C7H14O2.C3H8O2/c1-2-6(8)7-4-3-5-9-7;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3/t6-,7?;/m0./s1
InChIKeyIYFWYSDSSDJKAO-OXIGJRIQSA-N
MW206.28 g/mol
LogP0.64
Rot. Bonds2

About (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol

(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol (PubChem CID 142398679) has the molecular formula C10H22O4 and a molecular weight of 206.28 g/mol. Its IUPAC name is (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol.

Molecular Properties

Compound Name(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
PubChem CID142398679
Molecular FormulaC10H22O4
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
SMILESCC(C)(O)O.CC[C@H](O)C1CCCO1
InChIInChI=1S/C7H14O2.C3H8O2/c1-2-6(8)7-4-3-5-9-7;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3/t6-,7?;/m0./s1
InChIKeyIYFWYSDSSDJKAO-OXIGJRIQSA-N
XLogP0.64
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
1-(oxolan-2-yl)propane-1,3-diol
CID 119055061
ethyl 3-hydroxy-3-(oxolan-2-yl)propanoate
CID 82837463
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883
(2S)-2-[(1S)-1-iodo-2,2-dimethylpropyl]oxolane
CID 101448709
3-methyl-1-(oxolan-2-yl)butan-1-ol;propanal
CID 174771936

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol?
The IUPAC name of (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol (CID 142398679) is (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol.
What is the SMILES notation for (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol?
The canonical SMILES for (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol is CC(C)(O)O.CC[C@H](O)C1CCCO1.
What is the InChIKey of (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol?
The InChIKey is IYFWYSDSSDJKAO-OXIGJRIQSA-N. The full InChI is InChI=1S/C7H14O2.C3H8O2/c1-2-6(8)7-4-3-5-9-7;1-3(2,4)5/h6-8H,2-5H2,1H3;4-5H,1-2H3/t6-,7?;/m0./s1.
What are the key properties of (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol?
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol has a molecular weight of 206.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol is sourced from PubChem (CID 142398679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).