butan-1-ol;dichloromethane;3-methylbutan-1-ol

C10H24Cl2O2 — CID 174966055

IUPACbutan-1-ol;dichloromethane;3-methylbutan-1-ol
SMILESCC(C)CCO.CCCCO.ClCCl
InChIInChI=1S/C5H12O.C4H10O.CH2Cl2/c1-5(2)3-4-6;1-2-3-4-5;2-1-3/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1H2
InChIKeySVNOTOPMTNZKHU-UHFFFAOYSA-N
MW247.21 g/mol
LogP3.23
Rot. Bonds4

About butan-1-ol;dichloromethane;3-methylbutan-1-ol

butan-1-ol;dichloromethane;3-methylbutan-1-ol (PubChem CID 174966055) has the molecular formula C10H24Cl2O2 and a molecular weight of 247.21 g/mol. Its IUPAC name is butan-1-ol;dichloromethane;3-methylbutan-1-ol.

Molecular Properties

Compound Namebutan-1-ol;dichloromethane;3-methylbutan-1-ol
PubChem CID174966055
Molecular FormulaC10H24Cl2O2
Molecular Weight247.21 g/mol
Exact Mass246.12
IUPAC Namebutan-1-ol;dichloromethane;3-methylbutan-1-ol
SMILESCC(C)CCO.CCCCO.ClCCl
InChIInChI=1S/C5H12O.C4H10O.CH2Cl2/c1-5(2)3-4-6;1-2-3-4-5;2-1-3/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1H2
InChIKeySVNOTOPMTNZKHU-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;dichloromethane;3-methylbutan-1-ol?
The IUPAC name of butan-1-ol;dichloromethane;3-methylbutan-1-ol (CID 174966055) is butan-1-ol;dichloromethane;3-methylbutan-1-ol.
What is the SMILES notation for butan-1-ol;dichloromethane;3-methylbutan-1-ol?
The canonical SMILES for butan-1-ol;dichloromethane;3-methylbutan-1-ol is CC(C)CCO.CCCCO.ClCCl.
What is the InChIKey of butan-1-ol;dichloromethane;3-methylbutan-1-ol?
The InChIKey is SVNOTOPMTNZKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H10O.CH2Cl2/c1-5(2)3-4-6;1-2-3-4-5;2-1-3/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1H2.
What are the key properties of butan-1-ol;dichloromethane;3-methylbutan-1-ol?
butan-1-ol;dichloromethane;3-methylbutan-1-ol has a molecular weight of 247.21 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;dichloromethane;3-methylbutan-1-ol is sourced from PubChem (CID 174966055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).