CID 136897890

C10H17Se — CID 136897890

IUPAC—
SMILESC[C@@H]1C[C@H]2[C@@H](C[C@H]1[Se])C2(C)C
InChIInChI=1S/C10H17Se/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyZZRKHOWOQDGFLD-BZNPZCIMSA-N
MW216.21 g/mol
LogP2.65
Rot. Bonds

About CID 136897890

CID 136897890 (PubChem CID 136897890) has the molecular formula C10H17Se and a molecular weight of 216.21 g/mol.

Molecular Properties

Compound NameCID 136897890
PubChem CID136897890
Molecular FormulaC10H17Se
Molecular Weight216.21 g/mol
Exact Mass217.05
IUPAC Name—
SMILESC[C@@H]1C[C@H]2[C@@H](C[C@H]1[Se])C2(C)C
InChIInChI=1S/C10H17Se/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1
InChIKeyZZRKHOWOQDGFLD-BZNPZCIMSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(3S,4S)-3-(diethoxymethyl)-4,7,7-trimethylbicyclo[4.1.0]heptane
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(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
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2,2,4-trimethylcyclopentane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of CID 136897890?
The IUPAC name of CID 136897890 (CID 136897890) is not available.
What is the SMILES notation for CID 136897890?
The canonical SMILES for CID 136897890 is C[C@@H]1C[C@H]2[C@@H](C[C@H]1[Se])C2(C)C.
What is the InChIKey of CID 136897890?
The InChIKey is ZZRKHOWOQDGFLD-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H17Se/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9H,4-5H2,1-3H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of CID 136897890?
CID 136897890 has a molecular weight of 216.21 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136897890 is sourced from PubChem (CID 136897890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).