CID 173497582

C14H20BP — CID 173497582

IUPAC—
SMILES[B]C[C@@H](C)C[C@H]1CCC[P@@]1c1ccccc1
InChIInChI=1S/C14H20BP/c1-12(11-15)10-14-8-5-9-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t12-,14+,16-/m0/s1
InChIKeySEZPGUPNDMZPEQ-BJJXKVORSA-N
MW230.10 g/mol
LogP3.57
Rot. Bonds4

About CID 173497582

CID 173497582 (PubChem CID 173497582) has the molecular formula C14H20BP and a molecular weight of 230.10 g/mol.

Molecular Properties

Compound NameCID 173497582
PubChem CID173497582
Molecular FormulaC14H20BP
Molecular Weight230.10 g/mol
Exact Mass230.14
IUPAC Name—
SMILES[B]C[C@@H](C)C[C@H]1CCC[P@@]1c1ccccc1
InChIInChI=1S/C14H20BP/c1-12(11-15)10-14-8-5-9-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t12-,14+,16-/m0/s1
InChIKeySEZPGUPNDMZPEQ-BJJXKVORSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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trimethyl-(1-phenylphospholan-2-yl)stannane
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(1R,2S)-N,N-dicyclohexyl-1-phenylphospholan-2-amine
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2-diphenylphosphoryl-1-phenylphospholane
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[(2S)-1-cyclopropylpropan-2-yl]benzene
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bis[[(1S,2R)-1-methylphospholan-2-yl]methyl]-phenylphosphane
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1,2-diphenylphospholane;2-methyl-1,2-diphenylphospholane
CID 90110759
2-[(1S,2R)-1-methylphospholan-2-yl]ethyl-diphenylphosphane
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Frequently Asked Questions

What is the IUPAC name of CID 173497582?
The IUPAC name of CID 173497582 (CID 173497582) is not available.
What is the SMILES notation for CID 173497582?
The canonical SMILES for CID 173497582 is [B]C[C@@H](C)C[C@H]1CCC[P@@]1c1ccccc1.
What is the InChIKey of CID 173497582?
The InChIKey is SEZPGUPNDMZPEQ-BJJXKVORSA-N. The full InChI is InChI=1S/C14H20BP/c1-12(11-15)10-14-8-5-9-16(14)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3/t12-,14+,16-/m0/s1.
What are the key properties of CID 173497582?
CID 173497582 has a molecular weight of 230.10 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173497582 is sourced from PubChem (CID 173497582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).