(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol

C20H30O3 — CID 130262414

IUPAC(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1O[C@@H]([C@@H](CCCCC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C20H30O3/c1-3-5-7-13-19(22-15-16-11-8-6-9-12-16)20-14-17(21)18(23-20)10-4-2/h4,6,8-9,11-12,17-21H,2-3,5,7,10,13-15H2,1H3/t17-,18-,19-,20-/m1/s1
InChIKeyYZHRQYFUJALXPR-UAFMIMERSA-N
MW318.46 g/mol
LogP4.25
Rot. Bonds10

About (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol

(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol (PubChem CID 130262414) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol
PubChem CID130262414
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol
SMILESC=CC[C@H]1O[C@@H]([C@@H](CCCCC)OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C20H30O3/c1-3-5-7-13-19(22-15-16-11-8-6-9-12-16)20-14-17(21)18(23-20)10-4-2/h4,6,8-9,11-12,17-21H,2-3,5,7,10,13-15H2,1H3/t17-,18-,19-,20-/m1/s1
InChIKeyYZHRQYFUJALXPR-UAFMIMERSA-N
XLogP4.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2R,3R,5R)-5-[(1R)-1-phenylmethoxypropyl]-2-prop-2-enyloxolan-3-ol
CID 130262553
(1R,3R)-1-[(2R,5R)-5-[(1R)-1-phenylmethoxyundecyl]oxolan-2-yl]pent-4-ene-1,3-diol
CID 16756044
1-phenylmethoxydecan-1-ol
CID 152749890
(2S,3S,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-prop-2-enyloxan-3-ol
CID 102372231
(2R)-2-phenylmethoxyoctadecanoic acid
CID 102498485
(2S)-2-[(1S)-1-[(4-methoxyphenyl)methoxy]tridecyl]oxirane
CID 10406372
(6S)-6-[(1S)-1-phenylmethoxyundecyl]-2-phenylsulfanyl-2-propan-2-yloxane
CID 134878025
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
(2R,3R,6R)-6-ethenyl-2-pentyl-3-phenylmethoxyoxane
CID 134843487
(2S,3S,5R)-5-(1-hydroxydec-9-enyl)-2-pentyloxolan-3-ol
CID 11781945
2-[(2R,3S,6R)-3-hydroxy-6-[(1R,6S)-1,6,8-tris(phenylmethoxy)octyl]oxan-2-yl]acetic acid
CID 134872436
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol?
The IUPAC name of (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol (CID 130262414) is (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol is C=CC[C@H]1O[C@@H]([C@@H](CCCCC)OCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol?
The InChIKey is YZHRQYFUJALXPR-UAFMIMERSA-N. The full InChI is InChI=1S/C20H30O3/c1-3-5-7-13-19(22-15-16-11-8-6-9-12-16)20-14-17(21)18(23-20)10-4-2/h4,6,8-9,11-12,17-21H,2-3,5,7,10,13-15H2,1H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol?
(2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol has a molecular weight of 318.46 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-5-[(1R)-1-phenylmethoxyhexyl]-2-prop-2-enyloxolan-3-ol is sourced from PubChem (CID 130262414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).