(2R)-1,1,1-trichlorododec-11-en-2-ol

C12H21Cl3O — CID 102235187

IUPAC(2R)-1,1,1-trichlorododec-11-en-2-ol
SMILESC=CCCCCCCCC[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H21Cl3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/t11-/m1/s1
InChIKeyFEKZQFCXJXCIHQ-LLVKDONJSA-N
MW287.66 g/mol
LogP5.02
Rot. Bonds9

About (2R)-1,1,1-trichlorododec-11-en-2-ol

(2R)-1,1,1-trichlorododec-11-en-2-ol (PubChem CID 102235187) has the molecular formula C12H21Cl3O and a molecular weight of 287.66 g/mol. Its IUPAC name is (2R)-1,1,1-trichlorododec-11-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trichlorododec-11-en-2-ol
PubChem CID102235187
Molecular FormulaC12H21Cl3O
Molecular Weight287.66 g/mol
Exact Mass286.07
IUPAC Name(2R)-1,1,1-trichlorododec-11-en-2-ol
SMILESC=CCCCCCCCC[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H21Cl3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/t11-/m1/s1
InChIKeyFEKZQFCXJXCIHQ-LLVKDONJSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.66
LogP ≤ 55.02
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trichlorododec-11-en-2-ol?
The IUPAC name of (2R)-1,1,1-trichlorododec-11-en-2-ol (CID 102235187) is (2R)-1,1,1-trichlorododec-11-en-2-ol.
What is the SMILES notation for (2R)-1,1,1-trichlorododec-11-en-2-ol?
The canonical SMILES for (2R)-1,1,1-trichlorododec-11-en-2-ol is C=CCCCCCCCC[C@@H](O)C(Cl)(Cl)Cl.
What is the InChIKey of (2R)-1,1,1-trichlorododec-11-en-2-ol?
The InChIKey is FEKZQFCXJXCIHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21Cl3O/c1-2-3-4-5-6-7-8-9-10-11(16)12(13,14)15/h2,11,16H,1,3-10H2/t11-/m1/s1.
What are the key properties of (2R)-1,1,1-trichlorododec-11-en-2-ol?
(2R)-1,1,1-trichlorododec-11-en-2-ol has a molecular weight of 287.66 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trichlorododec-11-en-2-ol is sourced from PubChem (CID 102235187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).