decane;dichloro(dichloromethoxy)methanol

C12H24Cl4O2 — CID 159576126

IUPACdecane;dichloro(dichloromethoxy)methanol
SMILESCCCCCCCCCC.OC(Cl)(Cl)OC(Cl)Cl
InChIInChI=1S/C10H22.C2H2Cl4O2/c1-3-5-7-9-10-8-6-4-2;3-1(4)8-2(5,6)7/h3-10H2,1-2H3;1,7H
InChIKeyMIKUVSRCJGFSOP-UHFFFAOYSA-N
MW342.13 g/mol
LogP5.99
Rot. Bonds9

About decane;dichloro(dichloromethoxy)methanol

decane;dichloro(dichloromethoxy)methanol (PubChem CID 159576126) has the molecular formula C12H24Cl4O2 and a molecular weight of 342.13 g/mol. Its IUPAC name is decane;dichloro(dichloromethoxy)methanol.

Molecular Properties

Compound Namedecane;dichloro(dichloromethoxy)methanol
PubChem CID159576126
Molecular FormulaC12H24Cl4O2
Molecular Weight342.13 g/mol
Exact Mass340.05
IUPAC Namedecane;dichloro(dichloromethoxy)methanol
SMILESCCCCCCCCCC.OC(Cl)(Cl)OC(Cl)Cl
InChIInChI=1S/C10H22.C2H2Cl4O2/c1-3-5-7-9-10-8-6-4-2;3-1(4)8-2(5,6)7/h3-10H2,1-2H3;1,7H
InChIKeyMIKUVSRCJGFSOP-UHFFFAOYSA-N
XLogP5.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.13
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(dichloromethoxy)-4-methoxytridecane
CID 157145809
chloroform;ethoxyethane;hexane;methanol
CID 173390490
decane;hypochlorous acid
CID 88775425
triacontane-1,1,1-triol
CID 87376487
decane;ruthenium
CID 160818595
dodecane-1,1,1-triol
CID 22412604
2-chlorohenicosane-3,3-diol
CID 141136567
hexadecane-1,1,1-triol;hydrobromide
CID 174918449
1,1,2,2-tetrachlorooctane
CID 18402260
hexane;hypochlorous acid
CID 88775298
methanol;undecane
CID 161373911
hexane;methylaminomethanetriol
CID 174923369

Frequently Asked Questions

What is the IUPAC name of decane;dichloro(dichloromethoxy)methanol?
The IUPAC name of decane;dichloro(dichloromethoxy)methanol (CID 159576126) is decane;dichloro(dichloromethoxy)methanol.
What is the SMILES notation for decane;dichloro(dichloromethoxy)methanol?
The canonical SMILES for decane;dichloro(dichloromethoxy)methanol is CCCCCCCCCC.OC(Cl)(Cl)OC(Cl)Cl.
What is the InChIKey of decane;dichloro(dichloromethoxy)methanol?
The InChIKey is MIKUVSRCJGFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.C2H2Cl4O2/c1-3-5-7-9-10-8-6-4-2;3-1(4)8-2(5,6)7/h3-10H2,1-2H3;1,7H.
What are the key properties of decane;dichloro(dichloromethoxy)methanol?
decane;dichloro(dichloromethoxy)methanol has a molecular weight of 342.13 g/mol, XLogP of 5.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;dichloro(dichloromethoxy)methanol is sourced from PubChem (CID 159576126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).