3,3-dichloro-2,4-dimethoxypentane

C7H14Cl2O2 — CID 154217299

IUPAC3,3-dichloro-2,4-dimethoxypentane
SMILESCOC(C)C(Cl)(Cl)C(C)OC
InChIInChI=1S/C7H14Cl2O2/c1-5(10-3)7(8,9)6(2)11-4/h5-6H,1-4H3
InChIKeySRROBDDFHHAKBN-UHFFFAOYSA-N
MW201.09 g/mol
LogP2.23
Rot. Bonds4

About 3,3-dichloro-2,4-dimethoxypentane

3,3-dichloro-2,4-dimethoxypentane (PubChem CID 154217299) has the molecular formula C7H14Cl2O2 and a molecular weight of 201.09 g/mol. Its IUPAC name is 3,3-dichloro-2,4-dimethoxypentane.

Molecular Properties

Compound Name3,3-dichloro-2,4-dimethoxypentane
PubChem CID154217299
Molecular FormulaC7H14Cl2O2
Molecular Weight201.09 g/mol
Exact Mass200.04
IUPAC Name3,3-dichloro-2,4-dimethoxypentane
SMILESCOC(C)C(Cl)(Cl)C(C)OC
InChIInChI=1S/C7H14Cl2O2/c1-5(10-3)7(8,9)6(2)11-4/h5-6H,1-4H3
InChIKeySRROBDDFHHAKBN-UHFFFAOYSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.09
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-2-methylbutan-2-yl)silane
CID 173235836
CID 21298936
CID 21298936
3-methoxy-2,2-dimethylbutanal
CID 12739595
N-ethyl-3-methoxy-2-methylbutan-2-amine
CID 118495888
2,2,3-trimethoxybutanoic acid
CID 175415253
1-methoxyethylphosphane
CID 18189169
(2-cyclohexyl-1,3-dimethoxybutan-2-yl)cyclohexane
CID 66896613
2-chloro-3-methoxybutane
CID 23424437
2-(trichloromethoxy)propane
CID 87418636
1,1-dimethoxyethane;trichloroniobium
CID 19377144
(1S)-1-methoxy-N,N-dimethylethanamine
CID 89341126
[(2R)-1,1,1-trichloropropan-2-yl] propanoate
CID 6933249

Frequently Asked Questions

What is the IUPAC name of 3,3-dichloro-2,4-dimethoxypentane?
The IUPAC name of 3,3-dichloro-2,4-dimethoxypentane (CID 154217299) is 3,3-dichloro-2,4-dimethoxypentane.
What is the SMILES notation for 3,3-dichloro-2,4-dimethoxypentane?
The canonical SMILES for 3,3-dichloro-2,4-dimethoxypentane is COC(C)C(Cl)(Cl)C(C)OC.
What is the InChIKey of 3,3-dichloro-2,4-dimethoxypentane?
The InChIKey is SRROBDDFHHAKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2O2/c1-5(10-3)7(8,9)6(2)11-4/h5-6H,1-4H3.
What are the key properties of 3,3-dichloro-2,4-dimethoxypentane?
3,3-dichloro-2,4-dimethoxypentane has a molecular weight of 201.09 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-2,4-dimethoxypentane is sourced from PubChem (CID 154217299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).