2-(4-chlorobutyl)-2-methyl-1,3-dioxolane

C8H15ClO2 — CID 10965102

IUPAC2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
SMILESCC1(CCCCCl)OCCO1
InChIInChI=1S/C8H15ClO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7H2,1H3
InChIKeyAFFCAKKBRLTNFX-UHFFFAOYSA-N
MW178.66 g/mol
LogP2.16
Rot. Bonds4

About 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane

2-(4-chlorobutyl)-2-methyl-1,3-dioxolane (PubChem CID 10965102) has the molecular formula C8H15ClO2 and a molecular weight of 178.66 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
PubChem CID10965102
Molecular FormulaC8H15ClO2
Molecular Weight178.66 g/mol
Exact Mass178.08
IUPAC Name2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
SMILESCC1(CCCCCl)OCCO1
InChIInChI=1S/C8H15ClO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7H2,1H3
InChIKeyAFFCAKKBRLTNFX-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
[dimethyl-[(3S)-3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silyl]oxy-dimethyl-[(3S)-3-methyl-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]oxiran-2-yl]silane
CID 11005630
2-methyl-6-(2-methyl-1,3-dioxolan-2-yl)hexan-3-ol
CID 14689313
2-butyl-2-(3-chloropropyl)-1,3-dioxolane
CID 177295352
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
2-methyl-2-(3-methylbut-3-enyl)-1,3-dioxolane
CID 130120416
2-but-3-enyl-2-methyl-1,3-dioxolane
CID 11768681
2-methyl-2-[(Z)-10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 59841790
2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 72576196
2-(chloromethyl)-2-methyl-1,3-dioxepane
CID 55303029
2-(3-diethoxyphosphoryl(1,2,3-13C3)propyl)-2-(113C)methyl-(213C)1,3-dioxolane
CID 10468402

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane (CID 10965102) is 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane is CC1(CCCCCl)OCCO1.
What is the InChIKey of 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane?
The InChIKey is AFFCAKKBRLTNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO2/c1-8(4-2-3-5-9)10-6-7-11-8/h2-7H2,1H3.
What are the key properties of 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane?
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane has a molecular weight of 178.66 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10965102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).