carbonic acid;2-methylpropane

C5H12O3 — CID 87262286

IUPACcarbonic acid;2-methylpropane
SMILESCC(C)C.O=C(O)O
InChIInChI=1S/C4H10.CH2O3/c1-4(2)3;2-1(3)4/h4H,1-3H3;(H2,2,3,4)
InChIKeyGNJACGRAUHZWKY-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.88
Rot. Bonds

About carbonic acid;2-methylpropane

carbonic acid;2-methylpropane (PubChem CID 87262286) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is carbonic acid;2-methylpropane.

Molecular Properties

Compound Namecarbonic acid;2-methylpropane
PubChem CID87262286
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Namecarbonic acid;2-methylpropane
SMILESCC(C)C.O=C(O)O
InChIInChI=1S/C4H10.CH2O3/c1-4(2)3;2-1(3)4/h4H,1-3H3;(H2,2,3,4)
InChIKeyGNJACGRAUHZWKY-UHFFFAOYSA-N
XLogP1.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-methylpropane?
The IUPAC name of carbonic acid;2-methylpropane (CID 87262286) is carbonic acid;2-methylpropane.
What is the SMILES notation for carbonic acid;2-methylpropane?
The canonical SMILES for carbonic acid;2-methylpropane is CC(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2-methylpropane?
The InChIKey is GNJACGRAUHZWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.CH2O3/c1-4(2)3;2-1(3)4/h4H,1-3H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-methylpropane?
carbonic acid;2-methylpropane has a molecular weight of 120.15 g/mol, XLogP of 1.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-methylpropane is sourced from PubChem (CID 87262286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).