8,8,9,9,9-pentachlorononan-1-ol

C9H15Cl5O — CID 87333897

IUPAC8,8,9,9,9-pentachlorononan-1-ol
SMILESOCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h15H,1-7H2
InChIKeyXVRFEWKHPKQNGD-UHFFFAOYSA-N
MW316.48 g/mol
LogP4.86
Rot. Bonds7

About 8,8,9,9,9-pentachlorononan-1-ol

8,8,9,9,9-pentachlorononan-1-ol (PubChem CID 87333897) has the molecular formula C9H15Cl5O and a molecular weight of 316.48 g/mol. Its IUPAC name is 8,8,9,9,9-pentachlorononan-1-ol.

Molecular Properties

Compound Name8,8,9,9,9-pentachlorononan-1-ol
PubChem CID87333897
Molecular FormulaC9H15Cl5O
Molecular Weight316.48 g/mol
Exact Mass313.96
IUPAC Name8,8,9,9,9-pentachlorononan-1-ol
SMILESOCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C9H15Cl5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h15H,1-7H2
InChIKeyXVRFEWKHPKQNGD-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 54.86
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

7-chloro-7-methyloctan-1-ol
CID 139625698
tricosane-1,23-diol
CID 25144332
hexane-1,6-diol;octane-1,8-diol
CID 21202869
pentadecane-1,15-diol
CID 518994
trioctacontane-1,83-diol
CID 87526146
heptane-1,7-diol;nonane-1,9-diol
CID 174499055
dodecane-1,12-diol;tridecane-1,13-diol
CID 87338508
tris(docosane-1,22-diol);octakis(heptadecane-1,17-diol)
CID 159258975
4,4-dibromo-4-chlorobutan-1-ol
CID 88808392
CID 158555375
CID 158555375
methanediol;pentane-1,5-diol
CID 90027781
hexane-1,6-diol;hydroiodide
CID 175146639

Frequently Asked Questions

What is the IUPAC name of 8,8,9,9,9-pentachlorononan-1-ol?
The IUPAC name of 8,8,9,9,9-pentachlorononan-1-ol (CID 87333897) is 8,8,9,9,9-pentachlorononan-1-ol.
What is the SMILES notation for 8,8,9,9,9-pentachlorononan-1-ol?
The canonical SMILES for 8,8,9,9,9-pentachlorononan-1-ol is OCCCCCCCC(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 8,8,9,9,9-pentachlorononan-1-ol?
The InChIKey is XVRFEWKHPKQNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl5O/c10-8(11,9(12,13)14)6-4-2-1-3-5-7-15/h15H,1-7H2.
What are the key properties of 8,8,9,9,9-pentachlorononan-1-ol?
8,8,9,9,9-pentachlorononan-1-ol has a molecular weight of 316.48 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,9,9,9-pentachlorononan-1-ol is sourced from PubChem (CID 87333897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).