[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

C18H22O2 — CID 3085725

IUPAC[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H22O2/c1-13(2)16-10-9-14(3)17(12-16)20-18(19)11-15-7-5-4-6-8-15/h4-9,16-17H,1,10-12H2,2-3H3/t16-,17-/m1/s1
InChIKeyKDKVSYFQKDKENM-IAGOWNOFSA-N
MW270.37 g/mol
LogP4.07
Rot. Bonds4

About [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate

[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate (PubChem CID 3085725) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate.

Molecular Properties

Compound Name[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate
PubChem CID3085725
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate
SMILESC=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)Cc2ccccc2)C1
InChIInChI=1S/C18H22O2/c1-13(2)16-10-9-14(3)17(12-16)20-18(19)11-15-7-5-4-6-8-15/h4-9,16-17H,1,10-12H2,2-3H3/t16-,17-/m1/s1
InChIKeyKDKVSYFQKDKENM-IAGOWNOFSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate 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

[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-methylprop-2-enoate
CID 118478440
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] undecanoate
CID 50943567
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2,2-dimethylbutanoate
CID 126578927
ethyl (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-ene-1-carboxylate
CID 102015354
(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
CID 142509256
[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-butan-2-yl-4-methylhexanoate
CID 144949841
(5-methyl-2-oxooxolan-3-yl) 2-phenylacetate
CID 55377308
(4R,6S)-6-(2-bromo-1-ethoxyethoxy)-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 57207982
cyclopropyl 2-phenylacetate
CID 135066962
1-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxyethanol
CID 140938951
bis(cyclohex-2-en-1-ylbenzene);bis(cyclohex-2-en-1-yl benzoate);[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene;[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] benzoate
CID 157158807
(4S,6R)-6-chloro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 11789656

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate?
The IUPAC name of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate (CID 3085725) is [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate.
What is the SMILES notation for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate?
The canonical SMILES for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate is C=C(C)[C@@H]1CC=C(C)[C@H](OC(=O)Cc2ccccc2)C1.
What is the InChIKey of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate?
The InChIKey is KDKVSYFQKDKENM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22O2/c1-13(2)16-10-9-14(3)17(12-16)20-18(19)11-15-7-5-4-6-8-15/h4-9,16-17H,1,10-12H2,2-3H3/t16-,17-/m1/s1.
What are the key properties of [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate?
[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate has a molecular weight of 270.37 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] 2-phenylacetate is sourced from PubChem (CID 3085725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).