2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane

C23H46O3 — CID 21288393

IUPAC2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane
SMILESCC(C)CCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C23H46O3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-19-22-20-25-23(3,4)26-22/h21-22H,5-20H2,1-4H3
InChIKeyAOIHQAIFSMKBNN-UHFFFAOYSA-N
MW370.62 g/mol
LogP6.88
Rot. Bonds17

About 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane

2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane (PubChem CID 21288393) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane
PubChem CID21288393
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane
SMILESCC(C)CCCCCCCCCCCCCCOCC1COC(C)(C)O1
InChIInChI=1S/C23H46O3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-19-22-20-25-23(3,4)26-22/h21-22H,5-20H2,1-4H3
InChIKeyAOIHQAIFSMKBNN-UHFFFAOYSA-N
XLogP6.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Isopropyl-2-pentadecyl-1,3-dioxolane
CID 575374
2-(1-Methyldecyl)-1,3-dioxolane
CID 11971393
(4R)-2,2-dimethyl-4-(octadecoxymethyl)-1,3-dioxolane
CID 10810105
(4S)-2,2-Dimethyl-4-[(octadecyloxy)methyl]-1,3-dioxolane
CID 18600939
4,4,5-Trimethyl-2-pentadecyl-1,3-dioxolane
CID 575411
18-Methyl-nonadecane-1,2-diol, isopropylidene derivative
CID 91743164
[1-Decoxy-8-methyl-2-(6-methylheptoxy)-1-(7-methyloctoxy)-2-nonoxynonyl] hypofluorite
CID 148548846
1,3-Dioxolane, 2,2-dimethyl-4-[(tetradecyloxy)methyl]-
CID 537380
1,3-Dioxolane, 2,2-dimethyl-4-[(octadecyloxy)methyl]-
CID 568294
2-Cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
4-[(Hexadecyloxy)methyl]-2,2-dimethyl-1,3-dioxolane
CID 13916251
4-{[(2-Ethoxyhexadecyl)oxy]methyl}-2,2-dimethyl-1,3-dioxolane
CID 21413951

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane (CID 21288393) is 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane is CC(C)CCCCCCCCCCCCCCOCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane?
The InChIKey is AOIHQAIFSMKBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-21(2)17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-19-22-20-25-23(3,4)26-22/h21-22H,5-20H2,1-4H3.
What are the key properties of 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane?
2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane has a molecular weight of 370.62 g/mol, XLogP of 6.88, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(15-methylhexadecoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 21288393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).