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

C12H18O2 — CID 91751456

IUPAC(2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
SMILESC=C(C)[C@H]1CC=C(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C12H18O2/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h6,9-10,13H,1,4-5,7H2,2-3H3/t9-,10+/m1/s1
InChIKeyPZBGMBKRUHYASB-ZJUUUORDSA-N
MW194.27 g/mol
LogP2.24
Rot. Bonds3

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

(2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one (PubChem CID 91751456) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
PubChem CID91751456
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one
SMILESC=C(C)[C@H]1CC=C(C(=O)[C@@H](C)O)CC1
InChIInChI=1S/C12H18O2/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h6,9-10,13H,1,4-5,7H2,2-3H3/t9-,10+/m1/s1
InChIKeyPZBGMBKRUHYASB-ZJUUUORDSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.24
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 (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one (CID 91751456) is (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one is C=C(C)[C@H]1CC=C(C(=O)[C@@H](C)O)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
The InChIKey is PZBGMBKRUHYASB-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-4-6-11(7-5-10)12(14)9(3)13/h6,9-10,13H,1,4-5,7H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one?
(2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propan-1-one is sourced from PubChem (CID 91751456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).