[(2S)-2-ethenylhexoxy]methylbenzene

C15H22O — CID 50898080

IUPAC[(2S)-2-ethenylhexoxy]methylbenzene
SMILESC=C[C@H](CCCC)COCc1ccccc1
InChIInChI=1S/C15H22O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3/t14-/m1/s1
InChIKeyRKWGAPZOCGBNOK-CQSZACIVSA-N
MW218.34 g/mol
LogP4.20
Rot. Bonds8

About [(2S)-2-ethenylhexoxy]methylbenzene

[(2S)-2-ethenylhexoxy]methylbenzene (PubChem CID 50898080) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is [(2S)-2-ethenylhexoxy]methylbenzene.

Molecular Properties

Compound Name[(2S)-2-ethenylhexoxy]methylbenzene
PubChem CID50898080
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name[(2S)-2-ethenylhexoxy]methylbenzene
SMILESC=C[C@H](CCCC)COCc1ccccc1
InChIInChI=1S/C15H22O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3/t14-/m1/s1
InChIKeyRKWGAPZOCGBNOK-CQSZACIVSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.20
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)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
2-ethenyltetradecylbenzene
CID 173452613
N-ethyl-1-phenylmethoxyhexan-2-amine
CID 131008308
oct-1-en-3-yloxymethoxymethylbenzene
CID 561879
3-(phenylmethoxymethyl)-2-propylpent-4-enal
CID 86086944
(5R,6E)-5-(phenylmethoxymethyl)nona-6,8-dienal
CID 101152485
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
2-benzyloctoxymethylbenzene
CID 134979791
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
4-(2-phenylmethoxyethyl)hex-5-enal
CID 139530154

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethenylhexoxy]methylbenzene?
The IUPAC name of [(2S)-2-ethenylhexoxy]methylbenzene (CID 50898080) is [(2S)-2-ethenylhexoxy]methylbenzene.
What is the SMILES notation for [(2S)-2-ethenylhexoxy]methylbenzene?
The canonical SMILES for [(2S)-2-ethenylhexoxy]methylbenzene is C=C[C@H](CCCC)COCc1ccccc1.
What is the InChIKey of [(2S)-2-ethenylhexoxy]methylbenzene?
The InChIKey is RKWGAPZOCGBNOK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22O/c1-3-5-9-14(4-2)12-16-13-15-10-7-6-8-11-15/h4,6-8,10-11,14H,2-3,5,9,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [(2S)-2-ethenylhexoxy]methylbenzene?
[(2S)-2-ethenylhexoxy]methylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethenylhexoxy]methylbenzene is sourced from PubChem (CID 50898080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).