(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one

C11H16O2 — CID 46703549

IUPAC(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one
SMILESC=CC1=CC(=O)[C@@H](C(C)(C)O)CC1
InChIInChI=1S/C11H16O2/c1-4-8-5-6-9(10(12)7-8)11(2,3)13/h4,7,9,13H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKeySJMGFXUJRCCQSI-VIFPVBQESA-N
MW180.25 g/mol
LogP1.85
Rot. Bonds2

About (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one

(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one (PubChem CID 46703549) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one
PubChem CID46703549
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one
SMILESC=CC1=CC(=O)[C@@H](C(C)(C)O)CC1
InChIInChI=1S/C11H16O2/c1-4-8-5-6-9(10(12)7-8)11(2,3)13/h4,7,9,13H,1,5-6H2,2-3H3/t9-/m0/s1
InChIKeySJMGFXUJRCCQSI-VIFPVBQESA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one (CID 46703549) is (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one is C=CC1=CC(=O)[C@@H](C(C)(C)O)CC1.
What is the InChIKey of (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one?
The InChIKey is SJMGFXUJRCCQSI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16O2/c1-4-8-5-6-9(10(12)7-8)11(2,3)13/h4,7,9,13H,1,5-6H2,2-3H3/t9-/m0/s1.
What are the key properties of (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one?
(6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-ethenyl-6-(2-hydroxypropan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 46703549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).