(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one

C15H22O — CID 91748524

IUPAC(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one
SMILESC=C[C@@]1(C)CC(=O)C(=C(C)C)C=C1C(C)C
InChIInChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7-8,11H,1,9H2,2-6H3/t15-/m0/s1
InChIKeyUYBFSLXEYFGANT-HNNXBMFYSA-N
MW218.34 g/mol
LogP4.07
Rot. Bonds2

About (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one

(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one (PubChem CID 91748524) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one.

Molecular Properties

Compound Name(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one
PubChem CID91748524
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one
SMILESC=C[C@@]1(C)CC(=O)C(=C(C)C)C=C1C(C)C
InChIInChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7-8,11H,1,9H2,2-6H3/t15-/m0/s1
InChIKeyUYBFSLXEYFGANT-HNNXBMFYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one?
The IUPAC name of (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one (CID 91748524) is (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one.
What is the SMILES notation for (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one?
The canonical SMILES for (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one is C=C[C@@]1(C)CC(=O)C(=C(C)C)C=C1C(C)C.
What is the InChIKey of (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one?
The InChIKey is UYBFSLXEYFGANT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7-8,11H,1,9H2,2-6H3/t15-/m0/s1.
What are the key properties of (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one?
(5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethenyl-5-methyl-4-propan-2-yl-2-propan-2-ylidenecyclohex-3-en-1-one is sourced from PubChem (CID 91748524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).