(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one

C11H18O2 — CID 134894571

IUPAC(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
SMILESCOC(C)(C)[C@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C11H18O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9H,6-7H2,1-4H3/t9-/m0/s1
InChIKeySZFHSPVRONKRAE-VIFPVBQESA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds2

About (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one

(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one (PubChem CID 134894571) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
PubChem CID134894571
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
SMILESCOC(C)(C)[C@H]1CC=C(C)C(=O)C1
InChIInChI=1S/C11H18O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9H,6-7H2,1-4H3/t9-/m0/s1
InChIKeySZFHSPVRONKRAE-VIFPVBQESA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-(propan-2-yl)cyclohex-2-en-1-one
CID 521267
Carvotanacetone
CID 6432475
2-(4-Methyl-5-oxocyclohex-3-en-1-yl)propan-2-yl acetate
CID 538920
(S)-(+)-5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one
CID 12736466
5-(1-Hydroxy-1-methylethyl)-2-methyl-2-cyclohexen-1-one, (S)-
CID 10313290
8-Hydroxycarvotanacetone
CID 143717
(5R)-2-Methyl-5-(1-methylethyl)-2-cyclohexen-1-one
CID 10888107
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-
CID 9920473
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohexen-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one
CID 23724694
(5R)-5-[(E,2R)-2-hydroxy-6-oxohept-4-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 101995255
2-[(2E,6E,10E,14R)-15-hydroxy-3,7,11,14,15-pentamethyl-hexadeca-2,6,10-trienyl]-6-methyl-1,4-benzoquinone
CID 5275473
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5R)-
CID 10511263

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The IUPAC name of (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one (CID 134894571) is (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one is COC(C)(C)[C@H]1CC=C(C)C(=O)C1.
What is the InChIKey of (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
The InChIKey is SZFHSPVRONKRAE-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-9(7-10(8)12)11(2,3)13-4/h5,9H,6-7H2,1-4H3/t9-/m0/s1.
What are the key properties of (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one?
(5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 134894571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).