4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane

C24H46O2 — CID 23286510

IUPAC4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C1OCC(C)C(C)O1
InChIInChI=1S/C24H46O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)24-25-17-22(6)23(7)26-24/h18-20,22-24H,5,8-17H2,1-4,6-7H3
InChIKeyVLWSJWGRVFGWLC-UHFFFAOYSA-N
MW366.63 g/mol
LogP7.38
Rot. Bonds13

About 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane

4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane (PubChem CID 23286510) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane
PubChem CID23286510
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C1OCC(C)C(C)O1
InChIInChI=1S/C24H46O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)24-25-17-22(6)23(7)26-24/h18-20,22-24H,5,8-17H2,1-4,6-7H3
InChIKeyVLWSJWGRVFGWLC-UHFFFAOYSA-N
XLogP7.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane?
The IUPAC name of 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane (CID 23286510) is 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane.
What is the SMILES notation for 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane?
The canonical SMILES for 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane is C=C(CCCC(C)CCCC(C)CCCC(C)C)C1OCC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane?
The InChIKey is VLWSJWGRVFGWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)24-25-17-22(6)23(7)26-24/h18-20,22-24H,5,8-17H2,1-4,6-7H3.
What are the key properties of 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane?
4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane has a molecular weight of 366.63 g/mol, XLogP of 7.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxane is sourced from PubChem (CID 23286510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).