butane;carbonic acid;bis(2-methylpropane);propane

C17H42O6 — CID 175341234

IUPACbutane;carbonic acid;bis(2-methylpropane);propane
SMILESCC(C)C.CC(C)C.CCC.CCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/3C4H10.C3H8.2CH2O3/c2*1-4(2)3;1-3-4-2;1-3-2;2*2-1(3)4/h2*4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*(H2,2,3,4)
InChIKeyRNHHJLJQEDCYSO-UHFFFAOYSA-N
MW342.52 g/mol
LogP6.99
Rot. Bonds1

About butane;carbonic acid;bis(2-methylpropane);propane

butane;carbonic acid;bis(2-methylpropane);propane (PubChem CID 175341234) has the molecular formula C17H42O6 and a molecular weight of 342.52 g/mol. Its IUPAC name is butane;carbonic acid;bis(2-methylpropane);propane.

Molecular Properties

Compound Namebutane;carbonic acid;bis(2-methylpropane);propane
PubChem CID175341234
Molecular FormulaC17H42O6
Molecular Weight342.52 g/mol
Exact Mass342.30
IUPAC Namebutane;carbonic acid;bis(2-methylpropane);propane
SMILESCC(C)C.CC(C)C.CCC.CCCC.O=C(O)O.O=C(O)O
InChIInChI=1S/3C4H10.C3H8.2CH2O3/c2*1-4(2)3;1-3-4-2;1-3-2;2*2-1(3)4/h2*4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*(H2,2,3,4)
InChIKeyRNHHJLJQEDCYSO-UHFFFAOYSA-N
XLogP6.99
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 56.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;propane
CID 87396872
carbonic acid;2-methylpropane
CID 87262286
carbonic acid;methane;2-methylpropane
CID 175033204
azane;carbonic acid;1,1-difluorobutane;2-methylpropane
CID 174591461
carbonic acid;3-methylpentane
CID 173481374
carbonic acid;cyclohexane;bis(2-methylpropane)
CID 70485345
carbonic acid;cyclohexane;propane
CID 175056735
carbonic acid;propan-1-ol
CID 87687313
hexakis(carbonofluoridic acid);methane;propane
CID 175003662
butane;cyclopentane;cyclopropane;2-methylpropane;propane
CID 173325576
carbonic acid;bis(hexane)
CID 173367789
bis(carbamothioic S-acid);bis(2-methylpropane);propane
CID 173455372

Frequently Asked Questions

What is the IUPAC name of butane;carbonic acid;bis(2-methylpropane);propane?
The IUPAC name of butane;carbonic acid;bis(2-methylpropane);propane (CID 175341234) is butane;carbonic acid;bis(2-methylpropane);propane.
What is the SMILES notation for butane;carbonic acid;bis(2-methylpropane);propane?
The canonical SMILES for butane;carbonic acid;bis(2-methylpropane);propane is CC(C)C.CC(C)C.CCC.CCCC.O=C(O)O.O=C(O)O.
What is the InChIKey of butane;carbonic acid;bis(2-methylpropane);propane?
The InChIKey is RNHHJLJQEDCYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10.C3H8.2CH2O3/c2*1-4(2)3;1-3-4-2;1-3-2;2*2-1(3)4/h2*4H,1-3H3;3-4H2,1-2H3;3H2,1-2H3;2*(H2,2,3,4).
What are the key properties of butane;carbonic acid;bis(2-methylpropane);propane?
butane;carbonic acid;bis(2-methylpropane);propane has a molecular weight of 342.52 g/mol, XLogP of 6.99, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbonic acid;bis(2-methylpropane);propane is sourced from PubChem (CID 175341234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).