[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate

C20H28O3 — CID 25105662

IUPAC[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@@H](CCCC)OCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C20H28O3/c1-4-7-14-18(22-16-17-12-9-8-10-13-17)15-19(11-5-2)23-20(21)6-3/h5-6,8-10,12-13,18-19H,2-4,7,11,14-16H2,1H3/t18-,19-/m1/s1
InChIKeyDAWDRNSGDZXTNS-RTBURBONSA-N
MW316.44 g/mol
LogP4.83
Rot. Bonds12

About [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate

[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate (PubChem CID 25105662) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate.

Molecular Properties

Compound Name[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
PubChem CID25105662
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
SMILESC=CC[C@H](C[C@@H](CCCC)OCc1ccccc1)OC(=O)C=C
InChIInChI=1S/C20H28O3/c1-4-7-14-18(22-16-17-12-9-8-10-13-17)15-19(11-5-2)23-20(21)6-3/h5-6,8-10,12-13,18-19H,2-4,7,11,14-16H2,1H3/t18-,19-/m1/s1
InChIKeyDAWDRNSGDZXTNS-RTBURBONSA-N
XLogP4.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-phenylmethoxypent-4-en-2-yl] prop-2-enoate
CID 10514563
[(4R,6S,8S,10S,12R)-6,8-bis(methoxymethoxy)-10-[(4-methoxyphenyl)methoxy]-12-phenylmethoxyheptacos-1-en-4-yl] tert-butyl carbonate
CID 71604764
nonadec-1-en-4-yl prop-2-enoate
CID 11393552
tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
CID 102465931
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
ethylbenzene;hydrogen peroxide;4-hydroperoxyoct-1-ene
CID 175241821
docosan-11-yl prop-2-enoate;styrene
CID 175112193
bis(6-acetyloxy-8-phenylmethoxyoctadecanoate);barium(2+)
CID 101300832
1-phenylethyl 4-phenylmethoxyoctanoate
CID 174608864
bis(6-acetyloxy-4-phenylmethoxyoctadecanoate);barium(2+)
CID 101300696
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
(3R)-3-phenylmethoxyoctadecanal
CID 71606936

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate?
The IUPAC name of [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate (CID 25105662) is [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate.
What is the SMILES notation for [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate?
The canonical SMILES for [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate is C=CC[C@H](C[C@@H](CCCC)OCc1ccccc1)OC(=O)C=C.
What is the InChIKey of [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate?
The InChIKey is DAWDRNSGDZXTNS-RTBURBONSA-N. The full InChI is InChI=1S/C20H28O3/c1-4-7-14-18(22-16-17-12-9-8-10-13-17)15-19(11-5-2)23-20(21)6-3/h5-6,8-10,12-13,18-19H,2-4,7,11,14-16H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate?
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate has a molecular weight of 316.44 g/mol, XLogP of 4.83, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate is sourced from PubChem (CID 25105662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).