4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane

C11H18Cl2O4 — CID 22596460

IUPAC4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
SMILESClCC1COC(CCCC2OCC(CCl)O2)O1
InChIInChI=1S/C11H18Cl2O4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h8-11H,1-7H2
InChIKeyPNMXNPNCRXESOC-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.12
Rot. Bonds6

About 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane

4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane (PubChem CID 22596460) has the molecular formula C11H18Cl2O4 and a molecular weight of 285.17 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
PubChem CID22596460
Molecular FormulaC11H18Cl2O4
Molecular Weight285.17 g/mol
Exact Mass284.06
IUPAC Name4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane
SMILESClCC1COC(CCCC2OCC(CCl)O2)O1
InChIInChI=1S/C11H18Cl2O4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h8-11H,1-7H2
InChIKeyPNMXNPNCRXESOC-UHFFFAOYSA-N
XLogP2.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-(chloromethyl)-2-ethyl-1,3-dioxolane
CID 55301636
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011
3-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 115094395
5-(chloromethyl)-1,4-dioxane-2,3-diol
CID 15606719
3-[4-(2-hydroxyethyl)-1,3-dioxolan-2-yl]propan-1-ol
CID 117168285
(2S,4R)-4-(chloromethyl)-2-(trifluoromethyl)-1,3-dioxolane
CID 23262096
2-(chloromethyl)oxirane;pentachloro-λ5-stibane
CID 91666506
butane;2-(chloromethyl)oxirane
CID 174952392
2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
CID 166746758
2-(chloromethyl)oxirane;N-methylmethanamine;hydrochloride
CID 173012465
[2-(2-methylsulfanylethyl)-1,3-dioxolan-4-yl]methanol
CID 54234311
4-(chloromethyl)-2-prop-1-en-2-yl-1,3-dioxolane
CID 67926548

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane?
The IUPAC name of 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane (CID 22596460) is 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane.
What is the SMILES notation for 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane?
The canonical SMILES for 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane is ClCC1COC(CCCC2OCC(CCl)O2)O1.
What is the InChIKey of 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane?
The InChIKey is PNMXNPNCRXESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2O4/c12-4-8-6-14-10(16-8)2-1-3-11-15-7-9(5-13)17-11/h8-11H,1-7H2.
What are the key properties of 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane?
4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane has a molecular weight of 285.17 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-[4-(chloromethyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolane is sourced from PubChem (CID 22596460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).