trans-(1S,2S)-2-chlorocyclooctan-1-ol

C8H15ClO — CID 15084407

IUPACtrans-(1S,2S)-2-chlorocyclooctan-1-ol
SMILESO[C@H]1CCCCCC[C@@H]1Cl
InChIInChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8(7)10/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyLNECGGXJNNIELD-YUMQZZPRSA-N
MW162.66 g/mol
LogP2.31
Rot. Bonds

About trans-(1S,2S)-2-chlorocyclooctan-1-ol

trans-(1S,2S)-2-chlorocyclooctan-1-ol (PubChem CID 15084407) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is trans-(1S,2S)-2-chlorocyclooctan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-chlorocyclooctan-1-ol
PubChem CID15084407
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Nametrans-(1S,2S)-2-chlorocyclooctan-1-ol
SMILESO[C@H]1CCCCCC[C@@H]1Cl
InChIInChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8(7)10/h7-8,10H,1-6H2/t7-,8-/m0/s1
InChIKeyLNECGGXJNNIELD-YUMQZZPRSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-chlorocyclooctan-1-ol?
The IUPAC name of trans-(1S,2S)-2-chlorocyclooctan-1-ol (CID 15084407) is trans-(1S,2S)-2-chlorocyclooctan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-chlorocyclooctan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-chlorocyclooctan-1-ol is O[C@H]1CCCCCC[C@@H]1Cl.
What is the InChIKey of trans-(1S,2S)-2-chlorocyclooctan-1-ol?
The InChIKey is LNECGGXJNNIELD-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15ClO/c9-7-5-3-1-2-4-6-8(7)10/h7-8,10H,1-6H2/t7-,8-/m0/s1.
What are the key properties of trans-(1S,2S)-2-chlorocyclooctan-1-ol?
trans-(1S,2S)-2-chlorocyclooctan-1-ol has a molecular weight of 162.66 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-chlorocyclooctan-1-ol is sourced from PubChem (CID 15084407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).