(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one

C10H16O2 — CID 15939501

IUPAC(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=C[C@H](O)[C@@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10+/m1/s1
InChIKeyZFUJCNJIGDBFEP-SCZZXKLOSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds1

About (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one

(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one (PubChem CID 15939501) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
PubChem CID15939501
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=C[C@H](O)[C@@H](C(C)C)CC1=O
InChIInChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10+/m1/s1
InChIKeyZFUJCNJIGDBFEP-SCZZXKLOSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Vomifoliol, (+)-
CID 5280462
4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
(3R,6R)-hydroxy-alpha-ionone
CID 10889124
4-Hydroxy-4-(3-hydroxy-1-butenyl)-3,5,5-trimethyl-2-cyclohexen-1-one
CID 5280654
Desoxo-Narchinol A
CID 56835056
(S)-(+)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one
CID 12736466
Comosone A
CID 52952530
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
CID 10313290
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
5-(1,2-Dihydroxypropan-2-yl)-2-methylcyclohex-2-en-1-one
CID 73120805

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one (CID 15939501) is (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one is CC1=C[C@H](O)[C@@H](C(C)C)CC1=O.
What is the InChIKey of (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is ZFUJCNJIGDBFEP-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one?
(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 15939501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).