(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one

C19H24O2 — CID 139125944

IUPAC(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=CC[C@]1([C@@H]2C(=O)C(C)=CC[C@H]2C(=C)C)CCC=CC1=O
InChIInChI=1S/C19H24O2/c1-5-11-19(12-7-6-8-16(19)20)17-15(13(2)3)10-9-14(4)18(17)21/h5-6,8-9,15,17H,1-2,7,10-12H2,3-4H3/t15-,17-,19-/m0/s1
InChIKeyBOYJVJOQEHTHLU-IEZWGBDMSA-N
MW284.40 g/mol
LogP4.20
Rot. Bonds4

About (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one

(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 139125944) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID139125944
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=CC[C@]1([C@@H]2C(=O)C(C)=CC[C@H]2C(=C)C)CCC=CC1=O
InChIInChI=1S/C19H24O2/c1-5-11-19(12-7-6-8-16(19)20)17-15(13(2)3)10-9-14(4)18(17)21/h5-6,8-9,15,17H,1-2,7,10-12H2,3-4H3/t15-,17-,19-/m0/s1
InChIKeyBOYJVJOQEHTHLU-IEZWGBDMSA-N
XLogP4.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
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 (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 139125944) is (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=CC[C@]1([C@@H]2C(=O)C(C)=CC[C@H]2C(=C)C)CCC=CC1=O.
What is the InChIKey of (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is BOYJVJOQEHTHLU-IEZWGBDMSA-N. The full InChI is InChI=1S/C19H24O2/c1-5-11-19(12-7-6-8-16(19)20)17-15(13(2)3)10-9-14(4)18(17)21/h5-6,8-9,15,17H,1-2,7,10-12H2,3-4H3/t15-,17-,19-/m0/s1.
What are the key properties of (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one?
(5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 284.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2-methyl-6-[(1S)-2-oxo-1-prop-2-enylcyclohex-3-en-1-yl]-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 139125944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).