(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol

C18H24O4 — CID 145051460

IUPAC(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol
SMILESC=C/C=C(\C=C)CO[C@H]1CCOC1O.OCc1ccccc1
InChIInChI=1S/C11H16O3.C7H8O/c1-3-5-9(4-2)8-14-10-6-7-13-11(10)12;8-6-7-4-2-1-3-5-7/h3-5,10-12H,1-2,6-8H2;1-5,8H,6H2/b9-5+;/t10-,11?;/m0./s1
InChIKeyVMDBPNHVGMZXGM-FYLXCWFOSA-N
MW304.39 g/mol
LogP2.59
Rot. Bonds6

About (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol

(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol (PubChem CID 145051460) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol.

Molecular Properties

Compound Name(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol
PubChem CID145051460
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Name(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol
SMILESC=C/C=C(\C=C)CO[C@H]1CCOC1O.OCc1ccccc1
InChIInChI=1S/C11H16O3.C7H8O/c1-3-5-9(4-2)8-14-10-6-7-13-11(10)12;8-6-7-4-2-1-3-5-7/h3-5,10-12H,1-2,6-8H2;1-5,8H,6H2/b9-5+;/t10-,11?;/m0./s1
InChIKeyVMDBPNHVGMZXGM-FYLXCWFOSA-N
XLogP2.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,5S)-5-[(2E)-2-ethenylpenta-2,4-dienoxy]-3-phenylmethoxyoxan-2-ol
CID 165116967
(3S)-3-phenylmethoxyoxan-2-ol
CID 10608436
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene
CID 142233164
(2S,3S)-3-benzyloxolan-2-ol
CID 86339403
2-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]oxan-4-ol
CID 142423667
1-O-benzyl 3-O-[(2E)-2-ethenylpenta-2,4-dienyl] propanedioate
CID 143213528
cyclopentane;phenylmethanol;titanium
CID 23229026
phenylmethanol;titanium;dihydrochloride
CID 88632851
ethane;ethylbenzene;(3Z)-3-ethylhexa-1,3,5-triene
CID 171543969
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol?
The IUPAC name of (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol (CID 145051460) is (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol.
What is the SMILES notation for (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol?
The canonical SMILES for (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol is C=C/C=C(\C=C)CO[C@H]1CCOC1O.OCc1ccccc1.
What is the InChIKey of (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol?
The InChIKey is VMDBPNHVGMZXGM-FYLXCWFOSA-N. The full InChI is InChI=1S/C11H16O3.C7H8O/c1-3-5-9(4-2)8-14-10-6-7-13-11(10)12;8-6-7-4-2-1-3-5-7/h3-5,10-12H,1-2,6-8H2;1-5,8H,6H2/b9-5+;/t10-,11?;/m0./s1.
What are the key properties of (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol?
(3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol has a molecular weight of 304.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2E)-2-ethenylpenta-2,4-dienoxy]oxolan-2-ol;phenylmethanol is sourced from PubChem (CID 145051460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).