2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one

C14H22O — CID 169026631

IUPAC2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
SMILESC=C(C)[C@H]1CC=C(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H22O/c1-10(2)11-6-8-12(9-7-11)13(15)14(3,4)5/h8,11H,1,6-7,9H2,2-5H3/t11-/m0/s1
InChIKeyGWQJKPQEMUPLHJ-NSHDSACASA-N
MW206.33 g/mol
LogP3.90
Rot. Bonds2

About 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one

2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one (PubChem CID 169026631) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
PubChem CID169026631
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
SMILESC=C(C)[C@H]1CC=C(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H22O/c1-10(2)11-6-8-12(9-7-11)13(15)14(3,4)5/h8,11H,1,6-7,9H2,2-5H3/t11-/m0/s1
InChIKeyGWQJKPQEMUPLHJ-NSHDSACASA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one (CID 169026631) is 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one is C=C(C)[C@H]1CC=C(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The InChIKey is GWQJKPQEMUPLHJ-NSHDSACASA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)11-6-8-12(9-7-11)13(15)14(3,4)5/h8,11H,1,6-7,9H2,2-5H3/t11-/m0/s1.
What are the key properties of 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one has a molecular weight of 206.33 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one is sourced from PubChem (CID 169026631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).