2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane

C10H24O4 — CID 157350267

IUPAC2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
SMILESCC(C)(C)C.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C5H12/c6-1-5(2-7,3-8)4-9;1-5(2,3)4/h6-9H,1-4H2;1-4H3
InChIKeyBHLFVPIFAMQOBW-UHFFFAOYSA-N
MW208.30 g/mol
LogP-0.01
Rot. Bonds4

About 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane

2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane (PubChem CID 157350267) has the molecular formula C10H24O4 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane.

Molecular Properties

Compound Name2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
PubChem CID157350267
Molecular FormulaC10H24O4
Molecular Weight208.30 g/mol
Exact Mass208.17
IUPAC Name2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane
SMILESCC(C)(C)C.OCC(CO)(CO)CO
InChIInChI=1S/C5H12O4.C5H12/c6-1-5(2-7,3-8)4-9;1-5(2,3)4/h6-9H,1-4H2;1-4H3
InChIKeyBHLFVPIFAMQOBW-UHFFFAOYSA-N
XLogP-0.01
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(hydroxymethyl)(113C)propane-1,3-diol
CID 162343547
bis(2,2-bis(hydroxymethyl)propane-1,3-diol);zinc
CID 175286954
actinium;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 18715964
sodium;2,2-bis(hydroxymethyl)propane-1,3-diol;hydride
CID 173460114
acetic acid;bis(2,2-bis(hydroxymethyl)propane-1,3-diol)
CID 173446571
2,2-bis(hydroxymethyl)propane-1,3-diol;N-ethylethanamine
CID 158653740
2,2-bis(hydroxymethyl)propane-1,3-diol;dimethoxymethane
CID 158716862
tetrakis(2,2-bis(hydroxymethyl)propane-1,3-diol);tetraazide
CID 173049847
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylbutanoic acid
CID 175452511
2-aminoethanol;2,2-bis(hydroxymethyl)propane-1,3-diol
CID 174799248
alumane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 175039702
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;propane
CID 159142277

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane?
The IUPAC name of 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane (CID 157350267) is 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane.
What is the SMILES notation for 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane?
The canonical SMILES for 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane is CC(C)(C)C.OCC(CO)(CO)CO.
What is the InChIKey of 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane?
The InChIKey is BHLFVPIFAMQOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O4.C5H12/c6-1-5(2-7,3-8)4-9;1-5(2,3)4/h6-9H,1-4H2;1-4H3.
What are the key properties of 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane?
2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane has a molecular weight of 208.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(hydroxymethyl)propane-1,3-diol;2,2-dimethylpropane is sourced from PubChem (CID 157350267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).