(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane

C14H16O — CID 156851355

IUPAC(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
SMILESC1=CC1C[C@@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H16O/c1-2-4-12(5-3-1)14-9-8-13(15-14)10-11-6-7-11/h1-7,11,13-14H,8-10H2/t13-,14+/m0/s1
InChIKeyVBRWEIKTBODNGA-UONOGXRCSA-N
MW200.28 g/mol
LogP3.48
Rot. Bonds3

About (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane

(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane (PubChem CID 156851355) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane.

Molecular Properties

Compound Name(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
PubChem CID156851355
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
SMILESC1=CC1C[C@@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C14H16O/c1-2-4-12(5-3-1)14-9-8-13(15-14)10-11-6-7-11/h1-7,11,13-14H,8-10H2/t13-,14+/m0/s1
InChIKeyVBRWEIKTBODNGA-UONOGXRCSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
4-methyl-7-[2-[(2S,5R)-5-phenyloxolan-2-yl]ethyl]-7H-cyclopenta[b]pyridine
CID 145143543
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane?
The IUPAC name of (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane (CID 156851355) is (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane.
What is the SMILES notation for (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane?
The canonical SMILES for (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane is C1=CC1C[C@@H]1CC[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane?
The InChIKey is VBRWEIKTBODNGA-UONOGXRCSA-N. The full InChI is InChI=1S/C14H16O/c1-2-4-12(5-3-1)14-9-8-13(15-14)10-11-6-7-11/h1-7,11,13-14H,8-10H2/t13-,14+/m0/s1.
What are the key properties of (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane?
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane has a molecular weight of 200.28 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane is sourced from PubChem (CID 156851355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).