[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene

C13H20O — CID 139248421

IUPAC[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
SMILESCCC[C@H](C)O[C@H](C)c1ccccc1
InChIInChI=1S/C13H20O/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3/t11-,12+/m0/s1
InChIKeyODNHIQSZOBLMSQ-NWDGAFQWSA-N
MW192.30 g/mol
LogP3.95
Rot. Bonds5

About [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene

[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene (PubChem CID 139248421) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
PubChem CID139248421
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
SMILESCCC[C@H](C)O[C@H](C)c1ccccc1
InChIInChI=1S/C13H20O/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3/t11-,12+/m0/s1
InChIKeyODNHIQSZOBLMSQ-NWDGAFQWSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-decan-2-yloxyethylbenzene
CID 102455455
1-bromo-4-(1-pentan-2-yloxyethyl)benzene
CID 123476131
(2-iodo-1-pentan-2-yloxyethyl)benzene
CID 102984475
pentan-2-ylbenzene
CID 17627
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
1-pentoxyethylbenzene;hydrate
CID 174634303
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine
CID 102981222
1-(chloromethoxy)ethylbenzene
CID 13140582
N-[2-(1-phenylethoxy)ethyl]propan-1-amine
CID 62444581
N-butyl-3-ethyl-N-methyl-2-(1-phenylethoxy)hexan-1-amine
CID 155249780
2-pentan-3-yloxypentane
CID 91256227
CID 19876403
CID 19876403

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene?
The IUPAC name of [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene (CID 139248421) is [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene.
What is the SMILES notation for [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene?
The canonical SMILES for [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene is CCC[C@H](C)O[C@H](C)c1ccccc1.
What is the InChIKey of [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene?
The InChIKey is ODNHIQSZOBLMSQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H20O/c1-4-8-11(2)14-12(3)13-9-6-5-7-10-13/h5-7,9-12H,4,8H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene?
[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene has a molecular weight of 192.30 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene is sourced from PubChem (CID 139248421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).