bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol

C11H20O5 — CID 4047032

IUPACbis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C)OCC(C(O)C2COC(C)(C)O2)O1
InChIInChI=1S/C11H20O5/c1-10(2)13-5-7(15-10)9(12)8-6-14-11(3,4)16-8/h7-9,12H,5-6H2,1-4H3
InChIKeyNQJMKBQMFSCMFO-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.65
Rot. Bonds2

About bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol

bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol (PubChem CID 4047032) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Namebis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
PubChem CID4047032
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namebis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SMILESCC1(C)OCC(C(O)C2COC(C)(C)O2)O1
InChIInChI=1S/C11H20O5/c1-10(2)13-5-7(15-10)9(12)8-6-14-11(3,4)16-8/h7-9,12H,5-6H2,1-4H3
InChIKeyNQJMKBQMFSCMFO-UHFFFAOYSA-N
XLogP0.65
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
(1R)-2,2,2-trichloro-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 59052003
(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10584814
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11118793
(3aR,6S,6aR)-6-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 11162083
(1S,2S)-1,2-bis[(4R)-2-(deuteriomethyl)-2-methyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 57154703
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbuta-2,3-dien-1-ol
CID 11672787
(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethanesulfonic acid
CID 123663147
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol (CID 4047032) is bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol is CC1(C)OCC(C(O)C2COC(C)(C)O2)O1.
What is the InChIKey of bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is NQJMKBQMFSCMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-10(2)13-5-7(15-10)9(12)8-6-14-11(3,4)16-8/h7-9,12H,5-6H2,1-4H3.
What are the key properties of bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol?
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 232.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 4047032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).