(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol

C19H24O4 — CID 165116967

IUPAC(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol
SMILESC=C/C=C(\C=C)CO[C@@H]1CO[C@H](O)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H24O4/c1-3-8-15(4-2)12-21-17-11-18(19(20)23-14-17)22-13-16-9-6-5-7-10-16/h3-10,17-20H,1-2,11-14H2/b15-8+/t17-,18+,19-/m0/s1
InChIKeyTZWVJTCEIUIDTR-OHUCQYDDSA-N
MW316.40 g/mol
LogP2.99
Rot. Bonds8

About (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol

(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol (PubChem CID 165116967) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol.

Molecular Properties

Compound Name(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol
PubChem CID165116967
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol
SMILESC=C/C=C(\C=C)CO[C@@H]1CO[C@H](O)[C@H](OCc2ccccc2)C1
InChIInChI=1S/C19H24O4/c1-3-8-15(4-2)12-21-17-11-18(19(20)23-14-17)22-13-16-9-6-5-7-10-16/h3-10,17-20H,1-2,11-14H2/b15-8+/t17-,18+,19-/m0/s1
InChIKeyTZWVJTCEIUIDTR-OHUCQYDDSA-N
XLogP2.99
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol
CID 145051460
(2S,4S)-4-phenylmethoxy-2-prop-2-enyloxolane
CID 134931553
2,4-bis(phenylmethoxy)cyclopentan-1-ol
CID 57200651
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
(1R,3S,5S)-3,5-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 91005929
(2S,4S)-2-methyl-4-phenylmethoxyoxolane
CID 25180326
(1S,2R,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexane-1,2-diol
CID 7099090
(5S)-5-phenylmethoxyoxan-2-ol
CID 138637450
(1R,2S,3S,4R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxycyclohexane-1,2-diol
CID 11755326
3-phenylmethoxyoxane-2,4,5-triol
CID 19602254
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol?
The IUPAC name of (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol (CID 165116967) is (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol.
What is the SMILES notation for (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol?
The canonical SMILES for (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol is C=C/C=C(\C=C)CO[C@@H]1CO[C@H](O)[C@H](OCc2ccccc2)C1.
What is the InChIKey of (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol?
The InChIKey is TZWVJTCEIUIDTR-OHUCQYDDSA-N. The full InChI is InChI=1S/C19H24O4/c1-3-8-15(4-2)12-21-17-11-18(19(20)23-14-17)22-13-16-9-6-5-7-10-16/h3-10,17-20H,1-2,11-14H2/b15-8+/t17-,18+,19-/m0/s1.
What are the key properties of (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol?
(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol has a molecular weight of 316.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol is sourced from PubChem (CID 165116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).