(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one

C12H22O2 — CID 102243091

IUPAC(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one
SMILESC=CC[C@@H](C)CC(=O)CCC[C@@H](C)O
InChIInChI=1S/C12H22O2/c1-4-6-10(2)9-12(14)8-5-7-11(3)13/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11-/m1/s1
InChIKeyVSFPAURJLIPFBZ-GHMZBOCLSA-N
MW198.31 g/mol
LogP2.71
Rot. Bonds8

About (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one

(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one (PubChem CID 102243091) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one.

Molecular Properties

Compound Name(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one
PubChem CID102243091
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one
SMILESC=CC[C@@H](C)CC(=O)CCC[C@@H](C)O
InChIInChI=1S/C12H22O2/c1-4-6-10(2)9-12(14)8-5-7-11(3)13/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11-/m1/s1
InChIKeyVSFPAURJLIPFBZ-GHMZBOCLSA-N
XLogP2.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one?
The IUPAC name of (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one (CID 102243091) is (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one.
What is the SMILES notation for (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one?
The canonical SMILES for (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one is C=CC[C@@H](C)CC(=O)CCC[C@@H](C)O.
What is the InChIKey of (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one?
The InChIKey is VSFPAURJLIPFBZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-10(2)9-12(14)8-5-7-11(3)13/h4,10-11,13H,1,5-9H2,2-3H3/t10-,11-/m1/s1.
What are the key properties of (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one?
(4R,10R)-10-hydroxy-4-methylundec-1-en-6-one has a molecular weight of 198.31 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,10R)-10-hydroxy-4-methylundec-1-en-6-one is sourced from PubChem (CID 102243091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).