octan-1-ol;dihydrochloride

C8H20Cl2O — CID 18442293

IUPACoctan-1-ol;dihydrochloride
SMILESCCCCCCCCO.Cl.Cl
InChIInChI=1S/C8H18O.2ClH/c1-2-3-4-5-6-7-8-9;;/h9H,2-8H2,1H3;2*1H
InChIKeyXFSWSORBVHVIPQ-UHFFFAOYSA-N
MW203.15 g/mol
LogP3.18
Rot. Bonds6

About octan-1-ol;dihydrochloride

octan-1-ol;dihydrochloride (PubChem CID 18442293) has the molecular formula C8H20Cl2O and a molecular weight of 203.15 g/mol. Its IUPAC name is octan-1-ol;dihydrochloride.

Molecular Properties

Compound Nameoctan-1-ol;dihydrochloride
PubChem CID18442293
Molecular FormulaC8H20Cl2O
Molecular Weight203.15 g/mol
Exact Mass202.09
IUPAC Nameoctan-1-ol;dihydrochloride
SMILESCCCCCCCCO.Cl.Cl
InChIInChI=1S/C8H18O.2ClH/c1-2-3-4-5-6-7-8-9;;/h9H,2-8H2,1H3;2*1H
InChIKeyXFSWSORBVHVIPQ-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

icosan-1-ol;hydrochloride
CID 139975330
hexan-1-ol;hydrate;hydrochloride
CID 86720799
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426
dodecan-1-ol;tetradecan-1-ol
CID 21281432
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
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
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242

Frequently Asked Questions

What is the IUPAC name of octan-1-ol;dihydrochloride?
The IUPAC name of octan-1-ol;dihydrochloride (CID 18442293) is octan-1-ol;dihydrochloride.
What is the SMILES notation for octan-1-ol;dihydrochloride?
The canonical SMILES for octan-1-ol;dihydrochloride is CCCCCCCCO.Cl.Cl.
What is the InChIKey of octan-1-ol;dihydrochloride?
The InChIKey is XFSWSORBVHVIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2ClH/c1-2-3-4-5-6-7-8-9;;/h9H,2-8H2,1H3;2*1H.
What are the key properties of octan-1-ol;dihydrochloride?
octan-1-ol;dihydrochloride has a molecular weight of 203.15 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octan-1-ol;dihydrochloride is sourced from PubChem (CID 18442293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).