ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate

C18H28O4 — CID 134956984

IUPACethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
SMILESC=C[C@@H]1O[C@H](C)CC(OCC2CCCCC2)=C1C(=O)OCC
InChIInChI=1S/C18H28O4/c1-4-15-17(18(19)20-5-2)16(11-13(3)22-15)21-12-14-9-7-6-8-10-14/h4,13-15H,1,5-12H2,2-3H3/t13-,15+/m1/s1
InChIKeyGSFWQFHUNUNJQB-HIFRSBDPSA-N
MW308.42 g/mol
LogP3.76
Rot. Bonds6

About ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate

ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate (PubChem CID 134956984) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
PubChem CID134956984
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Nameethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
SMILESC=C[C@@H]1O[C@H](C)CC(OCC2CCCCC2)=C1C(=O)OCC
InChIInChI=1S/C18H28O4/c1-4-15-17(18(19)20-5-2)16(11-13(3)22-15)21-12-14-9-7-6-8-10-14/h4,13-15H,1,5-12H2,2-3H3/t13-,15+/m1/s1
InChIKeyGSFWQFHUNUNJQB-HIFRSBDPSA-N
XLogP3.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate 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-[(5aS,7S)-1-oxo-7-prop-1-en-2-yl-6,7,8,9-tetrahydro-5aH-pyrano[4,3-b]chromen-3-yl]acetic acid
CID 60017408
methyl (3aR,7aR)-2-(2-methoxy-2-oxoethyl)-3a,4,5,7a-tetrahydro-1-benzofuran-3-carboxylate
CID 10060747
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
methyl 6-cyclohexyl-3-ethyl-2-propyl-2H-pyran-5-carboxylate
CID 56641001
ethyl 2-[(2R,6R)-2-cyclohexyl-4,6-dimethyl-2,3-dihydropyran-6-yl]acetate
CID 71478133
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
ethyl (2S,6R)-4-(cyclohexylmethoxy)-6-ethenyl-2-(prop-2-enoxymethyl)-3,6-dihydro-2H-pyran-5-carboxylate
CID 134957265
ethyl (2S,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-(prop-2-enoxymethyl)-3,6-dihydro-2H-pyran-5-carboxylate
CID 134957267
ethyl (2R,6R)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate
CID 134957268
Rylbmtpzglarca-uhfffaoysa-
CID 21599287
[(4S)-4-methyl-2-methylidene-5-[(2R,6R)-6-(2-oxoethyl)-3,6-dihydro-2H-pyran-2-yl]pentyl] acetate
CID 59027068
6-Ethyl-16-methyl-10-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1,5,13-triene-4,18-dione
CID 70866389

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate?
The IUPAC name of ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate (CID 134956984) is ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate.
What is the SMILES notation for ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate?
The canonical SMILES for ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate is C=C[C@@H]1O[C@H](C)CC(OCC2CCCCC2)=C1C(=O)OCC.
What is the InChIKey of ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate?
The InChIKey is GSFWQFHUNUNJQB-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H28O4/c1-4-15-17(18(19)20-5-2)16(11-13(3)22-15)21-12-14-9-7-6-8-10-14/h4,13-15H,1,5-12H2,2-3H3/t13-,15+/m1/s1.
What are the key properties of ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate?
ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate has a molecular weight of 308.42 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6S)-4-(cyclohexylmethoxy)-6-ethenyl-2-methyl-3,6-dihydro-2H-pyran-5-carboxylate is sourced from PubChem (CID 134956984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).