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

C10H15Cl7O — CID 141280857

IUPAC2,2,3,3,4,4,5-heptachlorodecan-1-ol
SMILESCCCCCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H15Cl7O/c1-2-3-4-5-7(11)9(14,15)10(16,17)8(12,13)6-18/h7,18H,2-6H2,1H3
InChIKeyADVBGMIGXCLOKN-UHFFFAOYSA-N
MW399.40 g/mol
LogP5.69
Rot. Bonds8

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

2,2,3,3,4,4,5-heptachlorodecan-1-ol (PubChem CID 141280857) has the molecular formula C10H15Cl7O and a molecular weight of 399.40 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptachlorodecan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptachlorodecan-1-ol
PubChem CID141280857
Molecular FormulaC10H15Cl7O
Molecular Weight399.40 g/mol
Exact Mass395.89
IUPAC Name2,2,3,3,4,4,5-heptachlorodecan-1-ol
SMILESCCCCCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO
InChIInChI=1S/C10H15Cl7O/c1-2-3-4-5-7(11)9(14,15)10(16,17)8(12,13)6-18/h7,18H,2-6H2,1H3
InChIKeyADVBGMIGXCLOKN-UHFFFAOYSA-N
XLogP5.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 55.69
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

2,2,3-trichloroheptane-1,1,1-triol
CID 118276338
2,2,3,3,4,4,5,5-octachlorodecan-1-ol
CID 141280828
2,2,3,3,4-pentachlorooctadecanoic acid
CID 54294566
2,2,3,3,4,4,5-heptachlorohexan-1-ol
CID 141280800
sodium 2,2,3,3,4-pentachlorooctadecanoate
CID 170848829
1,1,2-trichlorooctan-1-amine
CID 122585426
3-chloro-2,2-dimethylhexadecane
CID 63461295
2,3-dichloroheptan-2-ol
CID 150485073
1,1,1,2,2,3-hexabromo-3,4-dichlorododecane
CID 88623568
3,4-dichloro-3-ethenyldodec-1-ene
CID 150880814
2-chlorooctadecan-1-ol
CID 14984660
1-chlorohexadecan-1-ol
CID 87967130

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptachlorodecan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5-heptachlorodecan-1-ol (CID 141280857) is 2,2,3,3,4,4,5-heptachlorodecan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5-heptachlorodecan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5-heptachlorodecan-1-ol is CCCCCC(Cl)C(Cl)(Cl)C(Cl)(Cl)C(Cl)(Cl)CO.
What is the InChIKey of 2,2,3,3,4,4,5-heptachlorodecan-1-ol?
The InChIKey is ADVBGMIGXCLOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl7O/c1-2-3-4-5-7(11)9(14,15)10(16,17)8(12,13)6-18/h7,18H,2-6H2,1H3.
What are the key properties of 2,2,3,3,4,4,5-heptachlorodecan-1-ol?
2,2,3,3,4,4,5-heptachlorodecan-1-ol has a molecular weight of 399.40 g/mol, XLogP of 5.69, 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-heptachlorodecan-1-ol is sourced from PubChem (CID 141280857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).