(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol

C10H20O3 — CID 20370

IUPAC(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3
InChIKeyHJELPCHEJDULNR-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.69
Rot. Bonds5

About (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol

(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol (PubChem CID 20370) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol
PubChem CID20370
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol
SMILESCCCCCC1(C)OCC(CO)O1
InChIInChI=1S/C10H20O3/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3
InChIKeyHJELPCHEJDULNR-UHFFFAOYSA-N
XLogP1.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The IUPAC name of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol (CID 20370) is (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol.
What is the SMILES notation for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The canonical SMILES for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol is CCCCCC1(C)OCC(CO)O1.
What is the InChIKey of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
The InChIKey is HJELPCHEJDULNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-4-5-6-10(2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3.
What are the key properties of (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol?
(2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol has a molecular weight of 188.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-pentyl-1,3-dioxolan-4-yl)methanol is sourced from PubChem (CID 20370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).