2-(5-methylundecan-5-yl)-1,3-dioxolane

C15H30O2 — CID 146378836

IUPAC2-(5-methylundecan-5-yl)-1,3-dioxolane
SMILESCCCCCCC(C)(CCCC)C1OCCO1
InChIInChI=1S/C15H30O2/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h14H,4-13H2,1-3H3
InChIKeyHUVJWHARBRXMIN-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.53
Rot. Bonds9

About 2-(5-methylundecan-5-yl)-1,3-dioxolane

2-(5-methylundecan-5-yl)-1,3-dioxolane (PubChem CID 146378836) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 2-(5-methylundecan-5-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(5-methylundecan-5-yl)-1,3-dioxolane
PubChem CID146378836
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name2-(5-methylundecan-5-yl)-1,3-dioxolane
SMILESCCCCCCC(C)(CCCC)C1OCCO1
InChIInChI=1S/C15H30O2/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h14H,4-13H2,1-3H3
InChIKeyHUVJWHARBRXMIN-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylundecan-5-yl)-1,3-dioxolane?
The IUPAC name of 2-(5-methylundecan-5-yl)-1,3-dioxolane (CID 146378836) is 2-(5-methylundecan-5-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(5-methylundecan-5-yl)-1,3-dioxolane?
The canonical SMILES for 2-(5-methylundecan-5-yl)-1,3-dioxolane is CCCCCCC(C)(CCCC)C1OCCO1.
What is the InChIKey of 2-(5-methylundecan-5-yl)-1,3-dioxolane?
The InChIKey is HUVJWHARBRXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-6-8-9-11-15(3,10-7-5-2)14-16-12-13-17-14/h14H,4-13H2,1-3H3.
What are the key properties of 2-(5-methylundecan-5-yl)-1,3-dioxolane?
2-(5-methylundecan-5-yl)-1,3-dioxolane has a molecular weight of 242.40 g/mol, XLogP of 4.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylundecan-5-yl)-1,3-dioxolane is sourced from PubChem (CID 146378836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).