dichloromethane;octan-1-ol

C9H20Cl2O — CID 23435244

IUPACdichloromethane;octan-1-ol
SMILESCCCCCCCCO.ClCCl
InChIInChI=1S/C8H18O.CH2Cl2/c1-2-3-4-5-6-7-8-9;2-1-3/h9H,2-8H2,1H3;1H2
InChIKeyGZHDLOIUHCQOLY-UHFFFAOYSA-N
MW215.16 g/mol
LogP3.76
Rot. Bonds6

About dichloromethane;octan-1-ol

dichloromethane;octan-1-ol (PubChem CID 23435244) has the molecular formula C9H20Cl2O and a molecular weight of 215.16 g/mol. Its IUPAC name is dichloromethane;octan-1-ol.

Molecular Properties

Compound Namedichloromethane;octan-1-ol
PubChem CID23435244
Molecular FormulaC9H20Cl2O
Molecular Weight215.16 g/mol
Exact Mass214.09
IUPAC Namedichloromethane;octan-1-ol
SMILESCCCCCCCCO.ClCCl
InChIInChI=1S/C8H18O.CH2Cl2/c1-2-3-4-5-6-7-8-9;2-1-3/h9H,2-8H2,1H3;1H2
InChIKeyGZHDLOIUHCQOLY-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
octan-1-ol;pentane-1,5-diol
CID 174867151

Frequently Asked Questions

What is the IUPAC name of dichloromethane;octan-1-ol?
The IUPAC name of dichloromethane;octan-1-ol (CID 23435244) is dichloromethane;octan-1-ol.
What is the SMILES notation for dichloromethane;octan-1-ol?
The canonical SMILES for dichloromethane;octan-1-ol is CCCCCCCCO.ClCCl.
What is the InChIKey of dichloromethane;octan-1-ol?
The InChIKey is GZHDLOIUHCQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.CH2Cl2/c1-2-3-4-5-6-7-8-9;2-1-3/h9H,2-8H2,1H3;1H2.
What are the key properties of dichloromethane;octan-1-ol?
dichloromethane;octan-1-ol has a molecular weight of 215.16 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;octan-1-ol is sourced from PubChem (CID 23435244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).