carbonic acid;2-propan-2-yloxypropane

C7H16O4 — CID 158018053

IUPACcarbonic acid;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.O=C(O)O
InChIInChI=1S/C6H14O.CH2O3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyFFSGPRNQQPEYNJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.04
Rot. Bonds2

About carbonic acid;2-propan-2-yloxypropane

carbonic acid;2-propan-2-yloxypropane (PubChem CID 158018053) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is carbonic acid;2-propan-2-yloxypropane.

Molecular Properties

Compound Namecarbonic acid;2-propan-2-yloxypropane
PubChem CID158018053
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Namecarbonic acid;2-propan-2-yloxypropane
SMILESCC(C)OC(C)C.O=C(O)O
InChIInChI=1S/C6H14O.CH2O3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4)
InChIKeyFFSGPRNQQPEYNJ-UHFFFAOYSA-N
XLogP2.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;2-propan-2-ylperoxypropane
CID 87099800
carbonic acid;2-methylpropane
CID 87262286
methanol;propan-2-ol;2-propan-2-yloxypropane
CID 88645420
azane;methanol;2-propan-2-yloxypropane;hydrate
CID 173089924
carbonic acid;methane;2-methylpropane
CID 175033204
acetic acid;2,2-di(propan-2-yloxy)acetic acid;titanium
CID 172768104
3,3-di(propan-2-yloxy)propanoic acid
CID 87167020
acetic acid;butane-1,1-diol;2-propan-2-yloxypropane
CID 174636882
bis(trichloromethyl) carbonate;2-propan-2-yloxypropane
CID 175047410
carbonic acid;ruthenium
CID 87059075
2-propan-2-yloxypropane;tetradecanoic acid
CID 172837764
(2S,3S)-2,3-di(propan-2-yloxy)butanedioate
CID 91756441

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-propan-2-yloxypropane?
The IUPAC name of carbonic acid;2-propan-2-yloxypropane (CID 158018053) is carbonic acid;2-propan-2-yloxypropane.
What is the SMILES notation for carbonic acid;2-propan-2-yloxypropane?
The canonical SMILES for carbonic acid;2-propan-2-yloxypropane is CC(C)OC(C)C.O=C(O)O.
What is the InChIKey of carbonic acid;2-propan-2-yloxypropane?
The InChIKey is FFSGPRNQQPEYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.CH2O3/c1-5(2)7-6(3)4;2-1(3)4/h5-6H,1-4H3;(H2,2,3,4).
What are the key properties of carbonic acid;2-propan-2-yloxypropane?
carbonic acid;2-propan-2-yloxypropane has a molecular weight of 164.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-propan-2-yloxypropane is sourced from PubChem (CID 158018053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).