(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane

C18H24O2 — CID 102315294

IUPAC(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
SMILESC/C=C/C=C/[C@H]1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C18H24O2/c1-2-3-5-11-17-12-8-13-18(20-17)15-19-14-16-9-6-4-7-10-16/h2-7,9-11,17-18H,8,12-15H2,1H3/b3-2+,11-5+/t17-,18-/m0/s1
InChIKeyRFMQUKWQYNAETN-FMFHMCOLSA-N
MW272.39 g/mol
LogP4.27
Rot. Bonds6

About (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane

(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane (PubChem CID 102315294) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane.

Molecular Properties

Compound Name(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
PubChem CID102315294
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane
SMILESC/C=C/C=C/[C@H]1CCC[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C18H24O2/c1-2-3-5-11-17-12-8-13-18(20-17)15-19-14-16-9-6-4-7-10-16/h2-7,9-11,17-18H,8,12-15H2,1H3/b3-2+,11-5+/t17-,18-/m0/s1
InChIKeyRFMQUKWQYNAETN-FMFHMCOLSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(2S,6S)-2-(phenylmethoxymethyl)-6-prop-2-enyloxane
CID 11622905
2-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 74402872
trimethyl-[[(2R,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]methyl]silane
CID 100983477
(2S,6S)-2-(2-bromoethoxy)-6-(phenylmethoxymethyl)oxane
CID 45113682
butyl 2-[(2R,6S)-6-(phenylmethoxymethyl)oxan-2-yl]acetate
CID 102144353
(2S,6S)-2,6-bis(phenylmethoxymethyl)morpholine
CID 176754636
methyl 2-[5-(phenylmethoxymethyl)oxolan-2-yl]acetate
CID 72501445
[(2S,5S)-5-(2-phenylmethoxyethoxymethyl)oxolan-2-yl]methyl acetate
CID 125485988
7-(phenylmethoxymethyl)oxepan-2-one
CID 75080085
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
(2R,5R)-2-(phenylmethoxymethyl)-5-(5-phenylmethoxypent-3-ynyl)oxolane
CID 11810625

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane?
The IUPAC name of (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane (CID 102315294) is (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane.
What is the SMILES notation for (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane?
The canonical SMILES for (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane is C/C=C/C=C/[C@H]1CCC[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane?
The InChIKey is RFMQUKWQYNAETN-FMFHMCOLSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-5-11-17-12-8-13-18(20-17)15-19-14-16-9-6-4-7-10-16/h2-7,9-11,17-18H,8,12-15H2,1H3/b3-2+,11-5+/t17-,18-/m0/s1.
What are the key properties of (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane?
(2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane has a molecular weight of 272.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-[(1E,3E)-penta-1,3-dienyl]-6-(phenylmethoxymethyl)oxane is sourced from PubChem (CID 102315294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).