carbonic acid;2-methylpropan-2-ol

C6H14O7 — CID 87955021

IUPACcarbonic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10O.2CH2O3/c1-4(2,3)5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4)
InChIKeyZTPJXJOWYTYQLP-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.22
Rot. Bonds

About carbonic acid;2-methylpropan-2-ol

carbonic acid;2-methylpropan-2-ol (PubChem CID 87955021) has the molecular formula C6H14O7 and a molecular weight of 198.17 g/mol. Its IUPAC name is carbonic acid;2-methylpropan-2-ol.

Molecular Properties

Compound Namecarbonic acid;2-methylpropan-2-ol
PubChem CID87955021
Molecular FormulaC6H14O7
Molecular Weight198.17 g/mol
Exact Mass198.07
IUPAC Namecarbonic acid;2-methylpropan-2-ol
SMILESCC(C)(C)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10O.2CH2O3/c1-4(2,3)5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4)
InChIKeyZTPJXJOWYTYQLP-UHFFFAOYSA-N
XLogP1.22
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropan-2-ol;propan-2-one;hydrate
CID 86602953
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
(2S,3S)-2,3-ditert-butyl-2,3-dihydroxybutanedioic acid
CID 151227491
tetrakis(2-methylpropan-2-ol);oxomolybdenum
CID 154620441
methane;2-methylpropan-2-ol
CID 157161859
2-methylpropan-2-ol;titanium(4+)
CID 159912750
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
gallane;tris(2-methylpropan-2-ol)
CID 175569744
2-methylpropan-2-ol;neodymium
CID 154348927
lithium 2-methylpropan-2-ol
CID 21120036
2-bromo-2-hydroxypropanoic acid
CID 88707429

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-methylpropan-2-ol?
The IUPAC name of carbonic acid;2-methylpropan-2-ol (CID 87955021) is carbonic acid;2-methylpropan-2-ol.
What is the SMILES notation for carbonic acid;2-methylpropan-2-ol?
The canonical SMILES for carbonic acid;2-methylpropan-2-ol is CC(C)(C)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-methylpropan-2-ol?
The InChIKey is ZTPJXJOWYTYQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2CH2O3/c1-4(2,3)5;2*2-1(3)4/h5H,1-3H3;2*(H2,2,3,4).
What are the key properties of carbonic acid;2-methylpropan-2-ol?
carbonic acid;2-methylpropan-2-ol has a molecular weight of 198.17 g/mol, XLogP of 1.22, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-methylpropan-2-ol is sourced from PubChem (CID 87955021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).