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

C23H44O2 — CID 71350555

IUPAC2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C1COC(C)(C)O1
InChIInChI=1S/C23H44O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)22-17-24-23(6,7)25-22/h18-20,22H,5,8-17H2,1-4,6-7H3
InChIKeyVFERIWCUTWMDSS-UHFFFAOYSA-N
MW352.60 g/mol
LogP7.13
Rot. Bonds13

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

2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane (PubChem CID 71350555) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane
PubChem CID71350555
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane
SMILESC=C(CCCC(C)CCCC(C)CCCC(C)C)C1COC(C)(C)O1
InChIInChI=1S/C23H44O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)22-17-24-23(6,7)25-22/h18-20,22H,5,8-17H2,1-4,6-7H3
InChIKeyVFERIWCUTWMDSS-UHFFFAOYSA-N
XLogP7.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 57.13
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 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane (CID 71350555) is 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane is C=C(CCCC(C)CCCC(C)CCCC(C)C)C1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane?
The InChIKey is VFERIWCUTWMDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O2/c1-18(2)11-8-12-19(3)13-9-14-20(4)15-10-16-21(5)22-17-24-23(6,7)25-22/h18-20,22H,5,8-17H2,1-4,6-7H3.
What are the key properties of 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane?
2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane has a molecular weight of 352.60 g/mol, XLogP of 7.13, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(6,10,14-trimethylpentadec-1-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 71350555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).