(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol

C17H24O3 — CID 44514537

IUPAC(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESCC/C=C\C[C@H]1O[C@H](COCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H24O3/c1-2-3-5-10-17-16(18)11-15(20-17)13-19-12-14-8-6-4-7-9-14/h3-9,15-18H,2,10-13H2,1H3/b5-3-/t15-,16+,17+/m0/s1
InChIKeyMSZZZUIBBKFODL-CGCLAYMLSA-N
MW276.38 g/mol
LogP3.08
Rot. Bonds7

About (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol

(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol (PubChem CID 44514537) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
PubChem CID44514537
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol
SMILESCC/C=C\C[C@H]1O[C@H](COCc2ccccc2)C[C@H]1O
InChIInChI=1S/C17H24O3/c1-2-3-5-10-17-16(18)11-15(20-17)13-19-12-14-8-6-4-7-9-14/h3-9,15-18H,2,10-13H2,1H3/b5-3-/t15-,16+,17+/m0/s1
InChIKeyMSZZZUIBBKFODL-CGCLAYMLSA-N
XLogP3.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
(2R,4R,5R)-5-ethyl-2-(phenylmethoxymethyl)oxan-4-ol
CID 24764148
(2R,3S,5R,7R,8S)-2-[(E)-but-2-enyl]-5-methyl-7-phenylmethoxy-8-(phenylmethoxymethyl)oxocan-3-ol
CID 134922663
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(6S)-2-ethyl-6-(phenylmethoxymethyl)oxane
CID 139257658
(6S)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-ol
CID 146358765
(2R,3R,4R,6R)-2-(2-methoxyethoxy)-6-(phenylmethoxymethyl)oxane-3,4-diol
CID 101172024
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(4R,5R)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-ol
CID 159970118
(4R,6S)-2-methyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71106611
(3aR,4R,6S,7aR)-2,2-dimethyl-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-ol
CID 11471925

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol (CID 44514537) is (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol is CC/C=C\C[C@H]1O[C@H](COCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol?
The InChIKey is MSZZZUIBBKFODL-CGCLAYMLSA-N. The full InChI is InChI=1S/C17H24O3/c1-2-3-5-10-17-16(18)11-15(20-17)13-19-12-14-8-6-4-7-9-14/h3-9,15-18H,2,10-13H2,1H3/b5-3-/t15-,16+,17+/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol?
(2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol has a molecular weight of 276.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[(Z)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-ol is sourced from PubChem (CID 44514537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).