CID 174217429

C9H19BP — CID 174217429

IUPAC—
SMILESCC1(C)CCCC(C)(C)P1.[B]
InChIInChI=1S/C9H19P.B/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;
InChIKeyBOIOIPWIBFRNHD-UHFFFAOYSA-N
MW169.04 g/mol
LogP3.03
Rot. Bonds

About CID 174217429

CID 174217429 (PubChem CID 174217429) has the molecular formula C9H19BP and a molecular weight of 169.04 g/mol.

Molecular Properties

Compound NameCID 174217429
PubChem CID174217429
Molecular FormulaC9H19BP
Molecular Weight169.04 g/mol
Exact Mass169.13
IUPAC Name—
SMILESCC1(C)CCCC(C)(C)P1.[B]
InChIInChI=1S/C9H19P.B/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;
InChIKeyBOIOIPWIBFRNHD-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.04
LogP ≤ 53.03
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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CID 173066007
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CID 18332449
N-methyl-N-(1-methylcyclohexyl)formamide
CID 175037555
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(2,2,6,6-tetramethylpiperidin-1-yl)-(2,2,6,6-tetramethylpiperidin-1-yl)phosphanylidenephosphane
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sodium 2,2,6,6-tetramethyl-1-oxidopiperidine
CID 23674768

Frequently Asked Questions

What is the IUPAC name of CID 174217429?
The IUPAC name of CID 174217429 (CID 174217429) is not available.
What is the SMILES notation for CID 174217429?
The canonical SMILES for CID 174217429 is CC1(C)CCCC(C)(C)P1.[B].
What is the InChIKey of CID 174217429?
The InChIKey is BOIOIPWIBFRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19P.B/c1-8(2)6-5-7-9(3,4)10-8;/h10H,5-7H2,1-4H3;.
What are the key properties of CID 174217429?
CID 174217429 has a molecular weight of 169.04 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174217429 is sourced from PubChem (CID 174217429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).