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

C10H20O2 — CID 12597025

IUPAC2,2-dimethyl-4-pentyl-1,3-dioxolane
SMILESCCCCCC1COC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h9H,4-8H2,1-3H3
InChIKeyMPJGESXAYRUJRO-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.72
Rot. Bonds4

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

2,2-dimethyl-4-pentyl-1,3-dioxolane (PubChem CID 12597025) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2,2-dimethyl-4-pentyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-pentyl-1,3-dioxolane
PubChem CID12597025
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2,2-dimethyl-4-pentyl-1,3-dioxolane
SMILESCCCCCC1COC(C)(C)O1
InChIInChI=1S/C10H20O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h9H,4-8H2,1-3H3
InChIKeyMPJGESXAYRUJRO-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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Related Compounds

Heptanal propyleneglycol acetal
CID 20357
4-Methyl-2-pentyl-1,3-dioxolane
CID 15336
2-Hexyl-4,5-dimethyl-1,3-dioxolane
CID 94886
1,4-Dioxaspiro[4.5]decane, 2-methyl-
CID 20845
Nonanal propyleneglycol acetal
CID 95572
Octanal propyleneglycol acetal
CID 560109
Decanal propylene glycol acetal
CID 95397
2-Decyl-4-methyl-1,3-dioxolane
CID 229153
2-Hexyl-1,3-dioxolane
CID 74360
1,3-Dioxolane, 2-heptyl-
CID 78067
Chalcogran
CID 581383
1,4-Dioxaspiro(4.4)nonane, 2-butyl-
CID 166504

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pentyl-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-pentyl-1,3-dioxolane (CID 12597025) is 2,2-dimethyl-4-pentyl-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-pentyl-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-pentyl-1,3-dioxolane is CCCCCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-pentyl-1,3-dioxolane?
The InChIKey is MPJGESXAYRUJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-5-6-7-9-8-11-10(2,3)12-9/h9H,4-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-pentyl-1,3-dioxolane?
2,2-dimethyl-4-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 2,2-dimethyl-4-pentyl-1,3-dioxolane is sourced from PubChem (CID 12597025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).