2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol

C10H15Cl3O — CID 13238505

IUPAC2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol
SMILESOC(C1/C=C\CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl3O/c11-10(12,13)9(14)8-6-4-2-1-3-5-7-8/h4,6,8-9,14H,1-3,5,7H2/b6-4-
InChIKeyCTLXQLSKERGYDP-XQRVVYSFSA-N
MW257.59 g/mol
LogP3.85
Rot. Bonds1

About 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol

2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol (PubChem CID 13238505) has the molecular formula C10H15Cl3O and a molecular weight of 257.59 g/mol. Its IUPAC name is 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol
PubChem CID13238505
Molecular FormulaC10H15Cl3O
Molecular Weight257.59 g/mol
Exact Mass256.02
IUPAC Name2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol
SMILESOC(C1/C=C\CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C10H15Cl3O/c11-10(12,13)9(14)8-6-4-2-1-3-5-7-8/h4,6,8-9,14H,1-3,5,7H2/b6-4-
InChIKeyCTLXQLSKERGYDP-XQRVVYSFSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.59
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol?
The IUPAC name of 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol (CID 13238505) is 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol.
What is the SMILES notation for 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol?
The canonical SMILES for 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol is OC(C1/C=C\CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol?
The InChIKey is CTLXQLSKERGYDP-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H15Cl3O/c11-10(12,13)9(14)8-6-4-2-1-3-5-7-8/h4,6,8-9,14H,1-3,5,7H2/b6-4-.
What are the key properties of 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol?
2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol has a molecular weight of 257.59 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-1-[(2Z)-cyclooct-2-en-1-yl]ethanol is sourced from PubChem (CID 13238505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).