bis(oxan-2-yl)methanol

C11H20O3 — CID 173021788

IUPACbis(oxan-2-yl)methanol
SMILESOC(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C11H20O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h9-12H,1-8H2
InChIKeyRBOZVKHTLZBXTE-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.49
Rot. Bonds2

About bis(oxan-2-yl)methanol

bis(oxan-2-yl)methanol (PubChem CID 173021788) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is bis(oxan-2-yl)methanol.

Molecular Properties

Compound Namebis(oxan-2-yl)methanol
PubChem CID173021788
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namebis(oxan-2-yl)methanol
SMILESOC(C1CCCCO1)C1CCCCO1
InChIInChI=1S/C11H20O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h9-12H,1-8H2
InChIKeyRBOZVKHTLZBXTE-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-cyclohexyl-[(2S)-oxolan-2-yl]methanol
CID 11240858
1-(oxan-2-yl)propane-1,3-diol
CID 57060644
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
1,3-bis(oxan-2-yl)butan-1-ol
CID 173130770
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
2-(dimethoxymethyl)oxane
CID 101048405
1,9-dioxaspiro[5.5]undecan-4-yl(oxan-2-yl)methanol
CID 115820899
[1-(aminomethyl)cyclopropyl]-(oxan-2-yl)methanol
CID 165448247
2-fluoro-2-(oxan-2-yl)acetic acid
CID 105431817

Frequently Asked Questions

What is the IUPAC name of bis(oxan-2-yl)methanol?
The IUPAC name of bis(oxan-2-yl)methanol (CID 173021788) is bis(oxan-2-yl)methanol.
What is the SMILES notation for bis(oxan-2-yl)methanol?
The canonical SMILES for bis(oxan-2-yl)methanol is OC(C1CCCCO1)C1CCCCO1.
What is the InChIKey of bis(oxan-2-yl)methanol?
The InChIKey is RBOZVKHTLZBXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c12-11(9-5-1-3-7-13-9)10-6-2-4-8-14-10/h9-12H,1-8H2.
What are the key properties of bis(oxan-2-yl)methanol?
bis(oxan-2-yl)methanol has a molecular weight of 200.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(oxan-2-yl)methanol is sourced from PubChem (CID 173021788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).