4,5-dimethyl-2-pentyl-1,3-dioxolane

C10H20O2 — CID 11084346

IUPAC4,5-dimethyl-2-pentyl-1,3-dioxolane
SMILESCCCCCC1OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyCMOJDAJROWMHLQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds4

About 4,5-dimethyl-2-pentyl-1,3-dioxolane

4,5-dimethyl-2-pentyl-1,3-dioxolane (PubChem CID 11084346) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name4,5-dimethyl-2-pentyl-1,3-dioxolane
PubChem CID11084346
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,5-dimethyl-2-pentyl-1,3-dioxolane
SMILESCCCCCC1OC(C)C(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKeyCMOJDAJROWMHLQ-UHFFFAOYSA-N
XLogP2.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.72
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 4,5-dimethyl-2-pentyl-1,3-dioxolane?
The IUPAC name of 4,5-dimethyl-2-pentyl-1,3-dioxolane (CID 11084346) is 4,5-dimethyl-2-pentyl-1,3-dioxolane.
What is the SMILES notation for 4,5-dimethyl-2-pentyl-1,3-dioxolane?
The canonical SMILES for 4,5-dimethyl-2-pentyl-1,3-dioxolane is CCCCCC1OC(C)C(C)O1.
What is the InChIKey of 4,5-dimethyl-2-pentyl-1,3-dioxolane?
The InChIKey is CMOJDAJROWMHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-pentyl-1,3-dioxolane?
4,5-dimethyl-2-pentyl-1,3-dioxolane has a molecular weight of 172.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pentyl-1,3-dioxolane is sourced from PubChem (CID 11084346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).