(2S,5R)-2-ethyl-5-phenyloxolane

C12H16O — CID 102280065

IUPAC(2S,5R)-2-ethyl-5-phenyloxolane
SMILESCC[C@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C12H16O/c1-2-11-8-9-12(13-11)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyFHEVDDDPVZVIEW-NWDGAFQWSA-N
MW176.26 g/mol
LogP3.32
Rot. Bonds2

About (2S,5R)-2-ethyl-5-phenyloxolane

(2S,5R)-2-ethyl-5-phenyloxolane (PubChem CID 102280065) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S,5R)-2-ethyl-5-phenyloxolane.

Molecular Properties

Compound Name(2S,5R)-2-ethyl-5-phenyloxolane
PubChem CID102280065
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S,5R)-2-ethyl-5-phenyloxolane
SMILESCC[C@H]1CC[C@H](c2ccccc2)O1
InChIInChI=1S/C12H16O/c1-2-11-8-9-12(13-11)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12+/m0/s1
InChIKeyFHEVDDDPVZVIEW-NWDGAFQWSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5S)-2-(iodomethyl)-5-phenyloxolane
CID 101241677
(2S,5R)-2-(bromomethyl)-5-phenyloxolane
CID 23247977
(2S,5R)-2-(cycloprop-2-en-1-ylmethyl)-5-phenyloxolane
CID 156851355
2,4-diethyl-6-phenyl-1,3-dioxane
CID 71439891
benzyl-dimethyl-[(5-phenyloxolan-2-yl)methyl]silane
CID 85432039
2-(3,4-dichlorophenyl)-5-ethyloxolane
CID 90089094
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
2-benzyl-5-ethyloxolane
CID 134971012
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
methyl (5-phenyloxolan-2-yl)methyl carbonate
CID 21306100
ethane;2-ethyl-6-[4-(trifluoromethyl)phenyl]oxane
CID 144591558

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethyl-5-phenyloxolane?
The IUPAC name of (2S,5R)-2-ethyl-5-phenyloxolane (CID 102280065) is (2S,5R)-2-ethyl-5-phenyloxolane.
What is the SMILES notation for (2S,5R)-2-ethyl-5-phenyloxolane?
The canonical SMILES for (2S,5R)-2-ethyl-5-phenyloxolane is CC[C@H]1CC[C@H](c2ccccc2)O1.
What is the InChIKey of (2S,5R)-2-ethyl-5-phenyloxolane?
The InChIKey is FHEVDDDPVZVIEW-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H16O/c1-2-11-8-9-12(13-11)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of (2S,5R)-2-ethyl-5-phenyloxolane?
(2S,5R)-2-ethyl-5-phenyloxolane has a molecular weight of 176.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethyl-5-phenyloxolane is sourced from PubChem (CID 102280065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).