(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one

C11H22O3 — CID 134944474

IUPAC(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)[C@@H](O)C(=O)[C@H](O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3/t8-,9-/m0/s1
InChIKeyMVOCRHRXPAMPAE-IUCAKERBSA-N
MW202.29 g/mol
LogP1.37
Rot. Bonds2

About (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one

(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one (PubChem CID 134944474) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one.

Molecular Properties

Compound Name(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
PubChem CID134944474
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one
SMILESCC(C)(C)[C@@H](O)C(=O)[C@H](O)C(C)(C)C
InChIInChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3/t8-,9-/m0/s1
InChIKeyMVOCRHRXPAMPAE-IUCAKERBSA-N
XLogP1.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The IUPAC name of (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one (CID 134944474) is (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one.
What is the SMILES notation for (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The canonical SMILES for (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one is CC(C)(C)[C@@H](O)C(=O)[C@H](O)C(C)(C)C.
What is the InChIKey of (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
The InChIKey is MVOCRHRXPAMPAE-IUCAKERBSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,3)8(13)7(12)9(14)11(4,5)6/h8-9,13-14H,1-6H3/t8-,9-/m0/s1.
What are the key properties of (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one?
(3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one has a molecular weight of 202.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dihydroxy-2,2,6,6-tetramethylheptan-4-one is sourced from PubChem (CID 134944474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).