2-(2-octyldecyl)-1,3-dioxolane

C21H42O2 — CID 68995066

IUPAC2-(2-octyldecyl)-1,3-dioxolane
SMILESCCCCCCCCC(CCCCCCCC)CC1OCCO1
InChIInChI=1S/C21H42O2/c1-3-5-7-9-11-13-15-20(19-21-22-17-18-23-21)16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyMWWMRLJQAQYQCB-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.87
Rot. Bonds16

About 2-(2-octyldecyl)-1,3-dioxolane

2-(2-octyldecyl)-1,3-dioxolane (PubChem CID 68995066) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is 2-(2-octyldecyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-octyldecyl)-1,3-dioxolane
PubChem CID68995066
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Name2-(2-octyldecyl)-1,3-dioxolane
SMILESCCCCCCCCC(CCCCCCCC)CC1OCCO1
InChIInChI=1S/C21H42O2/c1-3-5-7-9-11-13-15-20(19-21-22-17-18-23-21)16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3
InChIKeyMWWMRLJQAQYQCB-UHFFFAOYSA-N
XLogP6.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylhexadecyl)oxirane
CID 174869726
13-pentylheptacosane
CID 91387927
10-octylicosane
CID 20514731
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 2-(2-octyldecyl)-1,3-dioxolane?
The IUPAC name of 2-(2-octyldecyl)-1,3-dioxolane (CID 68995066) is 2-(2-octyldecyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-octyldecyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-octyldecyl)-1,3-dioxolane is CCCCCCCCC(CCCCCCCC)CC1OCCO1.
What is the InChIKey of 2-(2-octyldecyl)-1,3-dioxolane?
The InChIKey is MWWMRLJQAQYQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2/c1-3-5-7-9-11-13-15-20(19-21-22-17-18-23-21)16-14-12-10-8-6-4-2/h20-21H,3-19H2,1-2H3.
What are the key properties of 2-(2-octyldecyl)-1,3-dioxolane?
2-(2-octyldecyl)-1,3-dioxolane has a molecular weight of 326.57 g/mol, XLogP of 6.87, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-octyldecyl)-1,3-dioxolane is sourced from PubChem (CID 68995066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).