carbonic acid;3-methylpentane

C9H20O9 — CID 173481374

IUPACcarbonic acid;3-methylpentane
SMILESCCC(C)CC.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H14.3CH2O3/c1-4-6(3)5-2;3*2-1(3)4/h6H,4-5H2,1-3H3;3*(H2,2,3,4)
InChIKeyCGPYCXWHCNHIKV-UHFFFAOYSA-N
MW272.25 g/mol
LogP3.11
Rot. Bonds2

About carbonic acid;3-methylpentane

carbonic acid;3-methylpentane (PubChem CID 173481374) has the molecular formula C9H20O9 and a molecular weight of 272.25 g/mol. Its IUPAC name is carbonic acid;3-methylpentane.

Molecular Properties

Compound Namecarbonic acid;3-methylpentane
PubChem CID173481374
Molecular FormulaC9H20O9
Molecular Weight272.25 g/mol
Exact Mass272.11
IUPAC Namecarbonic acid;3-methylpentane
SMILESCCC(C)CC.O=C(O)O.O=C(O)O.O=C(O)O
InChIInChI=1S/C6H14.3CH2O3/c1-4-6(3)5-2;3*2-1(3)4/h6H,4-5H2,1-3H3;3*(H2,2,3,4)
InChIKeyCGPYCXWHCNHIKV-UHFFFAOYSA-N
XLogP3.11
TPSA172.59 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.25
LogP ≤ 53.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;3-methylpentane-1,1-diol
CID 87689978
3-methylpentane;hydrate
CID 144914279
methane;3-methylpentane
CID 157218592
3-methylpentane;propane
CID 123266773
methane;3-methylpentane
CID 153359275
ethane;3-methylpentane
CID 91147782
[(2S)-2-methylbutyl]carbamic acid
CID 147069594
butane;carbonic acid;bis(2-methylpropane);propane
CID 175341234
acetic acid;2-methylbutane
CID 172862544
carbonic acid;2-methylpropane
CID 87262286
carbonic acid;propane
CID 87396872
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027

Frequently Asked Questions

What is the IUPAC name of carbonic acid;3-methylpentane?
The IUPAC name of carbonic acid;3-methylpentane (CID 173481374) is carbonic acid;3-methylpentane.
What is the SMILES notation for carbonic acid;3-methylpentane?
The canonical SMILES for carbonic acid;3-methylpentane is CCC(C)CC.O=C(O)O.O=C(O)O.O=C(O)O.
What is the InChIKey of carbonic acid;3-methylpentane?
The InChIKey is CGPYCXWHCNHIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.3CH2O3/c1-4-6(3)5-2;3*2-1(3)4/h6H,4-5H2,1-3H3;3*(H2,2,3,4).
What are the key properties of carbonic acid;3-methylpentane?
carbonic acid;3-methylpentane has a molecular weight of 272.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;3-methylpentane is sourced from PubChem (CID 173481374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).