(3R)-3,5-dimethylhexan-2-ol;propan-2-one

C11H24O2 — CID 143641671

IUPAC(3R)-3,5-dimethylhexan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)C[C@@H](C)C(C)O
InChIInChI=1S/C8H18O.C3H6O/c1-6(2)5-7(3)8(4)9;1-3(2)4/h6-9H,5H2,1-4H3;1-2H3/t7-,8?;/m1./s1
InChIKeyDEFQVBNVYQARQO-PGMKYVDRSA-N
MW188.31 g/mol
LogP2.64
Rot. Bonds3

About (3R)-3,5-dimethylhexan-2-ol;propan-2-one

(3R)-3,5-dimethylhexan-2-ol;propan-2-one (PubChem CID 143641671) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3R)-3,5-dimethylhexan-2-ol;propan-2-one.

Molecular Properties

Compound Name(3R)-3,5-dimethylhexan-2-ol;propan-2-one
PubChem CID143641671
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Name(3R)-3,5-dimethylhexan-2-ol;propan-2-one
SMILESCC(C)=O.CC(C)C[C@@H](C)C(C)O
InChIInChI=1S/C8H18O.C3H6O/c1-6(2)5-7(3)8(4)9;1-3(2)4/h6-9H,5H2,1-4H3;1-2H3/t7-,8?;/m1./s1
InChIKeyDEFQVBNVYQARQO-PGMKYVDRSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-hydroxyethyl)-5-methylhexan-2-one
CID 130027593
3-methoxy-4,6-dimethylheptan-2-one
CID 87291252
(2S)-2-amino-3,5-dimethylhexanoic acid
CID 130519483
ethane-1,2-diol;propan-2-ol;propan-2-one
CID 129307519
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
(2S,4R,5R)-4,5,7-trimethyl-2-propan-2-yloctanoic acid
CID 56628753
(3S)-3-azaniumyl-5-methylhexanoate
CID 6934241
2,3-dihydroxy-4,6-dimethyl-2-(4-methylpentan-2-yl)heptanoic acid
CID 139864246
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
4-hydroxy-3-methylpentanamide
CID 21402958
ethanol;methanol;propan-2-ol;propan-2-one
CID 159107328
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethylhexan-2-ol;propan-2-one?
The IUPAC name of (3R)-3,5-dimethylhexan-2-ol;propan-2-one (CID 143641671) is (3R)-3,5-dimethylhexan-2-ol;propan-2-one.
What is the SMILES notation for (3R)-3,5-dimethylhexan-2-ol;propan-2-one?
The canonical SMILES for (3R)-3,5-dimethylhexan-2-ol;propan-2-one is CC(C)=O.CC(C)C[C@@H](C)C(C)O.
What is the InChIKey of (3R)-3,5-dimethylhexan-2-ol;propan-2-one?
The InChIKey is DEFQVBNVYQARQO-PGMKYVDRSA-N. The full InChI is InChI=1S/C8H18O.C3H6O/c1-6(2)5-7(3)8(4)9;1-3(2)4/h6-9H,5H2,1-4H3;1-2H3/t7-,8?;/m1./s1.
What are the key properties of (3R)-3,5-dimethylhexan-2-ol;propan-2-one?
(3R)-3,5-dimethylhexan-2-ol;propan-2-one has a molecular weight of 188.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethylhexan-2-ol;propan-2-one is sourced from PubChem (CID 143641671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).