4-methyl-2-pentyl-1,3-dioxolane

C9H18O2 — CID 15336

IUPAC4-methyl-2-pentyl-1,3-dioxolane
SMILESCCCCCC1OCC(C)O1
InChIInChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKeyGWMSIWCZZKMUQM-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-2-pentyl-1,3-dioxolane

4-methyl-2-pentyl-1,3-dioxolane (PubChem CID 15336) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 4-methyl-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name4-methyl-2-pentyl-1,3-dioxolane
PubChem CID15336
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name4-methyl-2-pentyl-1,3-dioxolane
SMILESCCCCCC1OCC(C)O1
InChIInChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3
InChIKeyGWMSIWCZZKMUQM-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 52.33
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 4-methyl-2-pentyl-1,3-dioxolane?
The IUPAC name of 4-methyl-2-pentyl-1,3-dioxolane (CID 15336) is 4-methyl-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 4-methyl-2-pentyl-1,3-dioxolane?
The canonical SMILES for 4-methyl-2-pentyl-1,3-dioxolane is CCCCCC1OCC(C)O1.
What is the InChIKey of 4-methyl-2-pentyl-1,3-dioxolane?
The InChIKey is GWMSIWCZZKMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-3-4-5-6-9-10-7-8(2)11-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-methyl-2-pentyl-1,3-dioxolane?
4-methyl-2-pentyl-1,3-dioxolane has a molecular weight of 158.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 15336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).