(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane

C17H24O — CID 102357883

IUPAC(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane
SMILESC=C[C@@H]1O[C@H](CCCc2ccccc2)CC[C@H]1C
InChIInChI=1S/C17H24O/c1-3-17-14(2)12-13-16(18-17)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16-17H,1,7,10-13H2,2H3/t14-,16-,17+/m1/s1
InChIKeyORDCIRSEZJJDNI-OIISXLGYSA-N
MW244.38 g/mol
LogP4.38
Rot. Bonds5

About (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane

(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane (PubChem CID 102357883) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane.

Molecular Properties

Compound Name(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane
PubChem CID102357883
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane
SMILESC=C[C@@H]1O[C@H](CCCc2ccccc2)CC[C@H]1C
InChIInChI=1S/C17H24O/c1-3-17-14(2)12-13-16(18-17)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16-17H,1,7,10-13H2,2H3/t14-,16-,17+/m1/s1
InChIKeyORDCIRSEZJJDNI-OIISXLGYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane 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

(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(4R,6S)-4-[[(4R,6R)-2,2-dimethyl-6-(3-phenylpropyl)-1,3-dioxan-4-yl]methyl]-6-ethenyl-2,2-dimethyl-1,3-dioxane
CID 118085888
(2S,3S)-3-methyl-2-(4-phenylbutyl)oxetane
CID 57244338
(2R,5S)-5-(2-phenylethyl)oxolan-2-ol
CID 86339415
4-cyclopropylbutylbenzene
CID 10261592
hept-6-enylbenzene
CID 15608161
4-phenylbutylbenzene
CID 141301927
5-cyclopropylpentylbenzene
CID 91089836
ethane;bis(2-ethyloxirane);3-phenylpropylbenzene
CID 159337252
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
2-(3-phenylpropyl)-1,4-dioxane
CID 100963956
2-(4-pent-4-enylcyclohexyl)ethylbenzene
CID 56624486

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane?
The IUPAC name of (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane (CID 102357883) is (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane.
What is the SMILES notation for (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane?
The canonical SMILES for (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane is C=C[C@@H]1O[C@H](CCCc2ccccc2)CC[C@H]1C.
What is the InChIKey of (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane?
The InChIKey is ORDCIRSEZJJDNI-OIISXLGYSA-N. The full InChI is InChI=1S/C17H24O/c1-3-17-14(2)12-13-16(18-17)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16-17H,1,7,10-13H2,2H3/t14-,16-,17+/m1/s1.
What are the key properties of (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane?
(2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane has a molecular weight of 244.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-2-ethenyl-3-methyl-6-(3-phenylpropyl)oxane is sourced from PubChem (CID 102357883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).