(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane

C19H28O2 — CID 134843487

IUPAC(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
SMILESC=C[C@H]1CC[C@@H](OCc2ccccc2)[C@@H](CCCCC)O1
InChIInChI=1S/C19H28O2/c1-3-5-7-12-19-18(14-13-17(4-2)21-19)20-15-16-10-8-6-9-11-16/h4,6,8-11,17-19H,2-3,5,7,12-15H2,1H3/t17-,18+,19+/m0/s1
InChIKeyFTEMTPBFXISIOI-IPMKNSEASA-N
MW288.43 g/mol
LogP4.89
Rot. Bonds8

About (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane

(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane (PubChem CID 134843487) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
PubChem CID134843487
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
SMILESC=C[C@H]1CC[C@@H](OCc2ccccc2)[C@@H](CCCCC)O1
InChIInChI=1S/C19H28O2/c1-3-5-7-12-19-18(14-13-17(4-2)21-19)20-15-16-10-8-6-9-11-16/h4,6,8-11,17-19H,2-3,5,7,12-15H2,1H3/t17-,18+,19+/m0/s1
InChIKeyFTEMTPBFXISIOI-IPMKNSEASA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,6R)-2-decyl-6-ethenyl-3-phenylmethoxyoxane
CID 101334126
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(1S)-1-[(2S,3R,6S)-2-decyl-3-phenylmethoxy-3,6-dihydro-2H-pyran-6-yl]prop-2-en-1-ol
CID 11710777
(3S,6S)-3-dodecyl-6-methoxy-7-phenylmethoxy-2,5-dioxabicyclo[2.2.1]heptane
CID 102428131
(2R,3S,6R)-2-[(Z)-hept-3-enyl]-6-[(2-methylpropan-2-yl)oxy]-3-phenylmethoxyoxane
CID 101203793
(2S,3S,4R,5R)-5-(hexadecoxymethyl)-3,4-bis(phenylmethoxy)oxolane-2-carbaldehyde
CID 101388975
(2S,3R,4S,6S)-6-ethenyl-2-methoxy-3,4-bis(phenylmethoxy)oxane
CID 46914368
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659
[(2S,3R,6R)-6-dodecyl-3-phenylmethoxypiperidin-2-yl]methanol
CID 11165190
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(2R,3R,4R,6R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 132544102
2-[(2R,3S,6R)-6-[(E,6S)-6-hydroxyhept-1-enyl]-3-phenylmethoxyoxan-2-yl]acetic acid
CID 45142365

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane?
The IUPAC name of (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane (CID 134843487) is (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane?
The canonical SMILES for (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane is C=C[C@H]1CC[C@@H](OCc2ccccc2)[C@@H](CCCCC)O1.
What is the InChIKey of (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane?
The InChIKey is FTEMTPBFXISIOI-IPMKNSEASA-N. The full InChI is InChI=1S/C19H28O2/c1-3-5-7-12-19-18(14-13-17(4-2)21-19)20-15-16-10-8-6-9-11-16/h4,6,8-11,17-19H,2-3,5,7,12-15H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane?
(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane has a molecular weight of 288.43 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane is sourced from PubChem (CID 134843487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).