dichloromethane;2-methylpropan-2-ol

C5H12Cl2O — CID 18914702

IUPACdichloromethane;2-methylpropan-2-ol
SMILESCC(C)(C)O.ClCCl
InChIInChI=1S/C4H10O.CH2Cl2/c1-4(2,3)5;2-1-3/h5H,1-3H3;1H2
InChIKeyUAHBAZJBXVPWLJ-UHFFFAOYSA-N
MW159.06 g/mol
LogP2.20
Rot. Bonds

About dichloromethane;2-methylpropan-2-ol

dichloromethane;2-methylpropan-2-ol (PubChem CID 18914702) has the molecular formula C5H12Cl2O and a molecular weight of 159.06 g/mol. Its IUPAC name is dichloromethane;2-methylpropan-2-ol.

Molecular Properties

Compound Namedichloromethane;2-methylpropan-2-ol
PubChem CID18914702
Molecular FormulaC5H12Cl2O
Molecular Weight159.06 g/mol
Exact Mass158.03
IUPAC Namedichloromethane;2-methylpropan-2-ol
SMILESCC(C)(C)O.ClCCl
InChIInChI=1S/C4H10O.CH2Cl2/c1-4(2,3)5;2-1-3/h5H,1-3H3;1H2
InChIKeyUAHBAZJBXVPWLJ-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.06
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-methylpropan-2-ol;vanadium
CID 158704639
2-methylpropan-2-ol;titanium(4+)
CID 159912750
methane;2-methylpropan-2-ol
CID 157161859
(dichloromethane);methanol
CID 173151406
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
2-methylpropan-2-ol;molybdenum
CID 174435313
2-methylpropan-2-ol;neodymium
CID 154348927
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
(dichloromethane);methanol
CID 173026294
(dichloromethane);methanol
CID 173499764
dichloromethane;methanol;2-methoxy-2-methylpropane
CID 87545382

Frequently Asked Questions

What is the IUPAC name of dichloromethane;2-methylpropan-2-ol?
The IUPAC name of dichloromethane;2-methylpropan-2-ol (CID 18914702) is dichloromethane;2-methylpropan-2-ol.
What is the SMILES notation for dichloromethane;2-methylpropan-2-ol?
The canonical SMILES for dichloromethane;2-methylpropan-2-ol is CC(C)(C)O.ClCCl.
What is the InChIKey of dichloromethane;2-methylpropan-2-ol?
The InChIKey is UAHBAZJBXVPWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.CH2Cl2/c1-4(2,3)5;2-1-3/h5H,1-3H3;1H2.
What are the key properties of dichloromethane;2-methylpropan-2-ol?
dichloromethane;2-methylpropan-2-ol has a molecular weight of 159.06 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;2-methylpropan-2-ol is sourced from PubChem (CID 18914702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).