(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one

C20H30O4 — CID 101081018

IUPAC(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CCCCCCCCCCOCc2ccccc2)O1
InChIInChI=1S/C20H30O4/c21-20-23-17-19(24-20)14-10-5-3-1-2-4-6-11-15-22-16-18-12-8-7-9-13-18/h7-9,12-13,19H,1-6,10-11,14-17H2/t19-/m0/s1
InChIKeyOGDUFMFIAYRAES-IBGZPJMESA-N
MW334.46 g/mol
LogP5.25
Rot. Bonds13

About (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one

(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one (PubChem CID 101081018) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
PubChem CID101081018
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one
SMILESO=C1OC[C@H](CCCCCCCCCCOCc2ccccc2)O1
InChIInChI=1S/C20H30O4/c21-20-23-17-19(24-20)14-10-5-3-1-2-4-6-11-15-22-16-18-12-8-7-9-13-18/h7-9,12-13,19H,1-6,10-11,14-17H2/t19-/m0/s1
InChIKeyOGDUFMFIAYRAES-IBGZPJMESA-N
XLogP5.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylmethoxypropyl)oxolan-2-one
CID 177135266
(5S,6S,7S,7aS)-6,7-dihydroxy-5-(6-phenylmethoxyhexyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 67174968
2-(3-phenylmethoxypropyl)-2,3-dihydropyran-4-one
CID 11075746
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
(4S)-4-octyl-1,3-dioxolan-2-one
CID 129382353
4-octadecyl-1,3-dioxolan-2-one
CID 139653097
(4R)-4-hexyl-1,3-dioxolan-2-one
CID 15403459
4-methyl-3-(4-phenylmethoxybutyl)cyclohexan-1-one
CID 123315734
15-bromopentadecoxymethylbenzene
CID 11338468
5-bromopentoxymethylbenzene;1,5-dibromopentane
CID 161240377
(3aR,4S,5S,6aS)-4-hydroxy-5-(5-phenylmethoxypentyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22858624
3-(3-phenylmethoxypropoxy)oxetane
CID 90348128

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one?
The IUPAC name of (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one (CID 101081018) is (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one.
What is the SMILES notation for (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one?
The canonical SMILES for (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one is O=C1OC[C@H](CCCCCCCCCCOCc2ccccc2)O1.
What is the InChIKey of (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one?
The InChIKey is OGDUFMFIAYRAES-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30O4/c21-20-23-17-19(24-20)14-10-5-3-1-2-4-6-11-15-22-16-18-12-8-7-9-13-18/h7-9,12-13,19H,1-6,10-11,14-17H2/t19-/m0/s1.
What are the key properties of (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one?
(4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one has a molecular weight of 334.46 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(10-phenylmethoxydecyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 101081018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).