carbonic acid;methane;2-methylpropane

C9H26O6 — CID 175033204

IUPACcarbonic acid;methane;2-methylpropane
SMILESC.C.C.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10.2CH2O3.3CH4/c1-4(2)3;2*2-1(3)4;;;/h4H,1-3H3;2*(H2,2,3,4);3*1H4
InChIKeyZWYVOPMXNJULEI-UHFFFAOYSA-N
MW230.30 g/mol
LogP4.02
Rot. Bonds

About carbonic acid;methane;2-methylpropane

carbonic acid;methane;2-methylpropane (PubChem CID 175033204) has the molecular formula C9H26O6 and a molecular weight of 230.30 g/mol. Its IUPAC name is carbonic acid;methane;2-methylpropane.

Molecular Properties

Compound Namecarbonic acid;methane;2-methylpropane
PubChem CID175033204
Molecular FormulaC9H26O6
Molecular Weight230.30 g/mol
Exact Mass230.17
IUPAC Namecarbonic acid;methane;2-methylpropane
SMILESC.C.C.CC(C)C.O=C(O)O.O=C(O)O
InChIInChI=1S/C4H10.2CH2O3.3CH4/c1-4(2)3;2*2-1(3)4;;;/h4H,1-3H3;2*(H2,2,3,4);3*1H4
InChIKeyZWYVOPMXNJULEI-UHFFFAOYSA-N
XLogP4.02
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

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carbonic acid;2-propan-2-yloxypropane
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CID 23312433
2-methylpropanoic acid
CID 173073412
carbonic acid;(2S)-propane-1,2-diol
CID 70700046
carbonic acid;3-methylpentane
CID 173481374
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;methane;2-methylpropane?
The IUPAC name of carbonic acid;methane;2-methylpropane (CID 175033204) is carbonic acid;methane;2-methylpropane.
What is the SMILES notation for carbonic acid;methane;2-methylpropane?
The canonical SMILES for carbonic acid;methane;2-methylpropane is C.C.C.CC(C)C.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;methane;2-methylpropane?
The InChIKey is ZWYVOPMXNJULEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.2CH2O3.3CH4/c1-4(2)3;2*2-1(3)4;;;/h4H,1-3H3;2*(H2,2,3,4);3*1H4.
What are the key properties of carbonic acid;methane;2-methylpropane?
carbonic acid;methane;2-methylpropane has a molecular weight of 230.30 g/mol, XLogP of 4.02, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;methane;2-methylpropane is sourced from PubChem (CID 175033204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).