(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one

C12H22O2 — CID 102050996

IUPAC(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one
SMILESC=CCC[C@](C)(CO)C(=O)CCCC
InChIInChI=1S/C12H22O2/c1-4-6-8-11(14)12(3,10-13)9-7-5-2/h5,13H,2,4,6-10H2,1,3H3/t12-/m1/s1
InChIKeyCSQFULBVUXRHMP-GFCCVEGCSA-N
MW198.31 g/mol
LogP2.71
Rot. Bonds8

About (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one

(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one (PubChem CID 102050996) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one.

Molecular Properties

Compound Name(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one
PubChem CID102050996
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one
SMILESC=CCC[C@](C)(CO)C(=O)CCCC
InChIInChI=1S/C12H22O2/c1-4-6-8-11(14)12(3,10-13)9-7-5-2/h5,13H,2,4,6-10H2,1,3H3/t12-/m1/s1
InChIKeyCSQFULBVUXRHMP-GFCCVEGCSA-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 (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one?
The IUPAC name of (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one (CID 102050996) is (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one.
What is the SMILES notation for (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one?
The canonical SMILES for (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one is C=CCC[C@](C)(CO)C(=O)CCCC.
What is the InChIKey of (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one?
The InChIKey is CSQFULBVUXRHMP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-6-8-11(14)12(3,10-13)9-7-5-2/h5,13H,2,4,6-10H2,1,3H3/t12-/m1/s1.
What are the key properties of (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one?
(6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-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 (6R)-6-(hydroxymethyl)-6-methyldec-9-en-5-one is sourced from PubChem (CID 102050996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).