hexane;2-methoxy-2-methylpropane;propan-2-one

C14H32O2 — CID 88654255

IUPAChexane;2-methoxy-2-methylpropane;propan-2-one
SMILESCC(C)=O.CCCCCC.COC(C)(C)C
InChIInChI=1S/C6H14.C5H12O.C3H6O/c1-3-5-6-4-2;1-5(2,3)6-4;1-3(2)4/h3-6H2,1-2H3;1-4H3;1-2H3
InChIKeyURGKYMPLWZZJBY-UHFFFAOYSA-N
MW232.41 g/mol
LogP4.61
Rot. Bonds3

About hexane;2-methoxy-2-methylpropane;propan-2-one

hexane;2-methoxy-2-methylpropane;propan-2-one (PubChem CID 88654255) has the molecular formula C14H32O2 and a molecular weight of 232.41 g/mol. Its IUPAC name is hexane;2-methoxy-2-methylpropane;propan-2-one.

Molecular Properties

Compound Namehexane;2-methoxy-2-methylpropane;propan-2-one
PubChem CID88654255
Molecular FormulaC14H32O2
Molecular Weight232.41 g/mol
Exact Mass232.24
IUPAC Namehexane;2-methoxy-2-methylpropane;propan-2-one
SMILESCC(C)=O.CCCCCC.COC(C)(C)C
InChIInChI=1S/C6H14.C5H12O.C3H6O/c1-3-5-6-4-2;1-5(2,3)6-4;1-3(2)4/h3-6H2,1-2H3;1-4H3;1-2H3
InChIKeyURGKYMPLWZZJBY-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methylpropane;pentane
CID 22145886
hexane;methanol;propan-2-one
CID 174562588
tert-butyl ethaneperoxoate;hexane
CID 175444597
2-methoxy-2-methylpropane;pentan-3-one
CID 87285903
3-methoxy-3-methylheptan-2-one
CID 87290850
heptane;methanol;propan-2-one;hydrate
CID 174653292
3-methoxy-3-methylhexan-2-one
CID 83225432
tert-butyl hydrogen carbonate;octane
CID 174792423
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
acetic acid;2-methoxypentan-2-ol
CID 130404021
2-methoxy-2-methyl-N,N-dipentylpropanamide
CID 103028912
acetic acid;decane
CID 172853582

Frequently Asked Questions

What is the IUPAC name of hexane;2-methoxy-2-methylpropane;propan-2-one?
The IUPAC name of hexane;2-methoxy-2-methylpropane;propan-2-one (CID 88654255) is hexane;2-methoxy-2-methylpropane;propan-2-one.
What is the SMILES notation for hexane;2-methoxy-2-methylpropane;propan-2-one?
The canonical SMILES for hexane;2-methoxy-2-methylpropane;propan-2-one is CC(C)=O.CCCCCC.COC(C)(C)C.
What is the InChIKey of hexane;2-methoxy-2-methylpropane;propan-2-one?
The InChIKey is URGKYMPLWZZJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C5H12O.C3H6O/c1-3-5-6-4-2;1-5(2,3)6-4;1-3(2)4/h3-6H2,1-2H3;1-4H3;1-2H3.
What are the key properties of hexane;2-methoxy-2-methylpropane;propan-2-one?
hexane;2-methoxy-2-methylpropane;propan-2-one has a molecular weight of 232.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;2-methoxy-2-methylpropane;propan-2-one is sourced from PubChem (CID 88654255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).