acetic acid;(2R)-hexan-2-ol;hexan-2-one

C14H30O4 — CID 118050364

IUPACacetic acid;(2R)-hexan-2-ol;hexan-2-one
SMILESCC(=O)O.CCCCC(C)=O.CCCC[C@@H](C)O
InChIInChI=1S/C6H14O.C6H12O.C2H4O2/c2*1-3-4-5-6(2)7;1-2(3)4/h6-7H,3-5H2,1-2H3;3-5H2,1-2H3;1H3,(H,3,4)/t6-;;/m1../s1
InChIKeyDPRRZNTVQGUXKL-QYCVXMPOSA-N
MW262.39 g/mol
LogP3.41
Rot. Bonds6

About acetic acid;(2R)-hexan-2-ol;hexan-2-one

acetic acid;(2R)-hexan-2-ol;hexan-2-one (PubChem CID 118050364) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is acetic acid;(2R)-hexan-2-ol;hexan-2-one.

Molecular Properties

Compound Nameacetic acid;(2R)-hexan-2-ol;hexan-2-one
PubChem CID118050364
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Nameacetic acid;(2R)-hexan-2-ol;hexan-2-one
SMILESCC(=O)O.CCCCC(C)=O.CCCC[C@@H](C)O
InChIInChI=1S/C6H14O.C6H12O.C2H4O2/c2*1-3-4-5-6(2)7;1-2(3)4/h6-7H,3-5H2,1-2H3;3-5H2,1-2H3;1H3,(H,3,4)/t6-;;/m1../s1
InChIKeyDPRRZNTVQGUXKL-QYCVXMPOSA-N
XLogP3.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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acetic acid;nonan-5-ol
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ethene;hexan-2-one
CID 88765599
hexan-2-one;molecular nitrogen
CID 174442577
hexan-2-ol;pentan-2-ol
CID 88680973
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2-methylprop-2-enoic acid;octan-2-ol
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(2R)-heptan-2-ol
CID 6992611

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2R)-hexan-2-ol;hexan-2-one?
The IUPAC name of acetic acid;(2R)-hexan-2-ol;hexan-2-one (CID 118050364) is acetic acid;(2R)-hexan-2-ol;hexan-2-one.
What is the SMILES notation for acetic acid;(2R)-hexan-2-ol;hexan-2-one?
The canonical SMILES for acetic acid;(2R)-hexan-2-ol;hexan-2-one is CC(=O)O.CCCCC(C)=O.CCCC[C@@H](C)O.
What is the InChIKey of acetic acid;(2R)-hexan-2-ol;hexan-2-one?
The InChIKey is DPRRZNTVQGUXKL-QYCVXMPOSA-N. The full InChI is InChI=1S/C6H14O.C6H12O.C2H4O2/c2*1-3-4-5-6(2)7;1-2(3)4/h6-7H,3-5H2,1-2H3;3-5H2,1-2H3;1H3,(H,3,4)/t6-;;/m1../s1.
What are the key properties of acetic acid;(2R)-hexan-2-ol;hexan-2-one?
acetic acid;(2R)-hexan-2-ol;hexan-2-one has a molecular weight of 262.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2R)-hexan-2-ol;hexan-2-one is sourced from PubChem (CID 118050364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).