[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene

C16H24O — CID 145114900

IUPAC[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
SMILESC=CC(CCC)C[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O/c1-4-9-15(5-2)12-14(3)17-13-16-10-7-6-8-11-16/h5-8,10-11,14-15H,2,4,9,12-13H2,1,3H3/t14-,15?/m0/s1
InChIKeyVDCBCNJOJQJDHB-MLCCFXAWSA-N
MW232.37 g/mol
LogP4.58
Rot. Bonds8

About [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene

[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene (PubChem CID 145114900) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
PubChem CID145114900
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
SMILESC=CC(CCC)C[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O/c1-4-9-15(5-2)12-14(3)17-13-16-10-7-6-8-11-16/h5-8,10-11,14-15H,2,4,9,12-13H2,1,3H3/t14-,15?/m0/s1
InChIKeyVDCBCNJOJQJDHB-MLCCFXAWSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.58
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

4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(2S,3R,4R)-4-phenylmethoxyhex-5-ene-2,3-diol
CID 46855133
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
hexan-3-yloxymethylbenzene
CID 20782034
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
butan-2-yloxymethylbenzene;ethane
CID 161043537
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
CID 147439182
[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene
CID 56968578
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene?
The IUPAC name of [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene (CID 145114900) is [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene.
What is the SMILES notation for [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene?
The canonical SMILES for [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene is C=CC(CCC)C[C@H](C)OCc1ccccc1.
What is the InChIKey of [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene?
The InChIKey is VDCBCNJOJQJDHB-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24O/c1-4-9-15(5-2)12-14(3)17-13-16-10-7-6-8-11-16/h5-8,10-11,14-15H,2,4,9,12-13H2,1,3H3/t14-,15?/m0/s1.
What are the key properties of [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene?
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene has a molecular weight of 232.37 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene is sourced from PubChem (CID 145114900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).