2,2,3,3,4,4,5,5-octachlorodecan-1-ol

C10H14Cl8O — CID 141280828

IUPAC2,2,3,3,4,4,5,5-octachlorodecan-1-ol
SMILESCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H14Cl8O/c1-2-3-4-5-7(11,12)9(15,16)10(17,18)8(13,14)6-19/h19H,2-6H2,1H3
InChIKeyFBJGUKYQSRQJTQ-UHFFFAOYSA-N
MW433.85 g/mol
LogP6.25
Rot. Bonds8

About 2,2,3,3,4,4,5,5-octachlorodecan-1-ol

2,2,3,3,4,4,5,5-octachlorodecan-1-ol (PubChem CID 141280828) has the molecular formula C10H14Cl8O and a molecular weight of 433.85 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octachlorodecan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octachlorodecan-1-ol
PubChem CID141280828
Molecular FormulaC10H14Cl8O
Molecular Weight433.85 g/mol
Exact Mass429.86
IUPAC Name2,2,3,3,4,4,5,5-octachlorodecan-1-ol
SMILESCCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H14Cl8O/c1-2-3-4-5-7(11,12)9(15,16)10(17,18)8(13,14)6-19/h19H,2-6H2,1H3
InChIKeyFBJGUKYQSRQJTQ-UHFFFAOYSA-N
XLogP6.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.85
LogP ≤ 56.25
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

1,1,1,2,2,3,3-heptachloroundecane
CID 170849896
2,2,3,3,4,4,5,5-octachloroheptan-1-ol
CID 141280896
2,3-dipentyloctane-1,2,3-triol
CID 87058897
2,2,3,3,4,4,5-heptachlorodecan-1-ol
CID 141280857
methyl 2,2,3,3,4,4-hexachlorooctadecanoate
CID 118195443
2,2-di(undecyl)tridecan-1-ol
CID 176610401
2,2-dioctyldecan-1-ol
CID 87374856
2,2,3,3-tetrachlorodecanoic acid
CID 91357107
11-chloro-11-nonylhenicosane
CID 154304707
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
11-chloro-11-decylpentacosane
CID 19690403

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octachlorodecan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5-octachlorodecan-1-ol (CID 141280828) is 2,2,3,3,4,4,5,5-octachlorodecan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octachlorodecan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octachlorodecan-1-ol is CCCCCC(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO.
What is the InChIKey of 2,2,3,3,4,4,5,5-octachlorodecan-1-ol?
The InChIKey is FBJGUKYQSRQJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl8O/c1-2-3-4-5-7(11,12)9(15,16)10(17,18)8(13,14)6-19/h19H,2-6H2,1H3.
What are the key properties of 2,2,3,3,4,4,5,5-octachlorodecan-1-ol?
2,2,3,3,4,4,5,5-octachlorodecan-1-ol has a molecular weight of 433.85 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octachlorodecan-1-ol is sourced from PubChem (CID 141280828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).