[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol

C15H18O2 — CID 102179390

IUPAC[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol
SMILESC=C[C@@H]1C[C@@](/C=C/c2ccccc2)(CO)CO1
InChIInChI=1S/C15H18O2/c1-2-14-10-15(11-16,12-17-14)9-8-13-6-4-3-5-7-13/h2-9,14,16H,1,10-12H2/b9-8+/t14-,15+/m1/s1
InChIKeyGHQRDXYYFGXSSL-PQAPVRDISA-N
MW230.31 g/mol
LogP2.65
Rot. Bonds4

About [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol

[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol (PubChem CID 102179390) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol
PubChem CID102179390
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol
SMILESC=C[C@@H]1C[C@@](/C=C/c2ccccc2)(CO)CO1
InChIInChI=1S/C15H18O2/c1-2-14-10-15(11-16,12-17-14)9-8-13-6-4-3-5-7-13/h2-9,14,16H,1,10-12H2/b9-8+/t14-,15+/m1/s1
InChIKeyGHQRDXYYFGXSSL-PQAPVRDISA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5S)-5-ethenyl-3-[(2-methylphenyl)methyl]oxolan-3-yl]methanol
CID 16720298
4-(hydroxymethyl)-2-(2-phenylethenyl)-1,3-dioxolane-2,4-diol
CID 57077446
1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
(2R,4S,6S)-2-ethenyl-4-iodo-6-[(E)-2-phenylethenyl]oxane
CID 102324958
(1S,4S)-1-methyl-4-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexane
CID 102095400
(1S,5R,6R)-6-ethenyl-1-[(E)-2-phenylethenyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 10513426
(2R,3R,4S,5R,6R)-2,6-bis(hydroxymethyl)-2-[(E)-2-phenylethenyl]oxane-3,4,5-triol
CID 102305330
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(1E)-1-phenylhepta-1,6-dien-3-amine
CID 11542895
(5S)-5-methyl-5-phenyl-2-[(E)-2-phenylethenyl]oxane
CID 138980021
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol?
The IUPAC name of [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol (CID 102179390) is [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol.
What is the SMILES notation for [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol?
The canonical SMILES for [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol is C=C[C@@H]1C[C@@](/C=C/c2ccccc2)(CO)CO1.
What is the InChIKey of [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol?
The InChIKey is GHQRDXYYFGXSSL-PQAPVRDISA-N. The full InChI is InChI=1S/C15H18O2/c1-2-14-10-15(11-16,12-17-14)9-8-13-6-4-3-5-7-13/h2-9,14,16H,1,10-12H2/b9-8+/t14-,15+/m1/s1.
What are the key properties of [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol?
[(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol has a molecular weight of 230.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-ethenyl-3-[(E)-2-phenylethenyl]oxolan-3-yl]methanol is sourced from PubChem (CID 102179390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).