2-benzyl-5-ethyloxolane

C13H18O — CID 134971012

IUPAC2-benzyl-5-ethyloxolane
SMILESCCC1CCC(Cc2ccccc2)O1
InChIInChI=1S/C13H18O/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyNNBNQAWXRCNFFV-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.19
Rot. Bonds3

About 2-benzyl-5-ethyloxolane

2-benzyl-5-ethyloxolane (PubChem CID 134971012) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-benzyl-5-ethyloxolane.

Molecular Properties

Compound Name2-benzyl-5-ethyloxolane
PubChem CID134971012
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-benzyl-5-ethyloxolane
SMILESCCC1CCC(Cc2ccccc2)O1
InChIInChI=1S/C13H18O/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyNNBNQAWXRCNFFV-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(2S,6R)-6-benzyl-2-ethyl-3,6-dihydro-2H-pyran
CID 56837491
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
(2S,6S)-2-benzyl-6-[[(2S)-2-methyloxolan-2-yl]methyl]oxane
CID 102007921
(2R,5R)-2-[(4-methoxyphenyl)methyl]-5-phenyloxolane
CID 11425650
N-[(2S,6R)-2,6-dibenzyloxan-4-yl]acetamide
CID 50960068
(2R,5R)-2-benzyl-5-ethylpyrrolidine
CID 11267979
2-ethyl-5-(iodomethyl)oxolane
CID 130582736
(3-benzyl-2-ethylcyclopentyl)benzene
CID 165353387
(2S,5R)-2-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropyl)oxolane
CID 59476412
cyclopropylmethylbenzene;ethane;methane
CID 142248267

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyloxolane?
The IUPAC name of 2-benzyl-5-ethyloxolane (CID 134971012) is 2-benzyl-5-ethyloxolane.
What is the SMILES notation for 2-benzyl-5-ethyloxolane?
The canonical SMILES for 2-benzyl-5-ethyloxolane is CCC1CCC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-5-ethyloxolane?
The InChIKey is NNBNQAWXRCNFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of 2-benzyl-5-ethyloxolane?
2-benzyl-5-ethyloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyloxolane is sourced from PubChem (CID 134971012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).