CID 87817296

C20H30BP — CID 87817296

IUPAC—
SMILES[B]P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30BP/c21-22(19-7-13-1-14(8-19)3-15(2-13)9-19)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyNWSFQPDLVNWDAE-UHFFFAOYSA-N
MW312.25 g/mol
LogP5.49
Rot. Bonds2

About CID 87817296

CID 87817296 (PubChem CID 87817296) has the molecular formula C20H30BP and a molecular weight of 312.25 g/mol.

Molecular Properties

Compound NameCID 87817296
PubChem CID87817296
Molecular FormulaC20H30BP
Molecular Weight312.25 g/mol
Exact Mass312.22
IUPAC Name—
SMILES[B]P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H30BP/c21-22(19-7-13-1-14(8-19)3-15(2-13)9-19)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2
InChIKeyNWSFQPDLVNWDAE-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.25
LogP ≤ 55.49
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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bis(1-adamantyl)-butylphosphane;hydrobromide
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Adamantylsilicone
CID 18798576
1-adamantylmethanol;hydrochloride
CID 141053946
adamantane;1-methyladamantane
CID 53425859
CID 15129445
CID 15129445
adamantan-1-ol;azane
CID 66728775
lithium adamantan-1-olate
CID 23682470
sodium adamantan-1-olate
CID 23673189
1-adamantyl(trimethyl)azanium;hydroxide;hydrate
CID 132987838

Frequently Asked Questions

What is the IUPAC name of CID 87817296?
The IUPAC name of CID 87817296 (CID 87817296) is not available.
What is the SMILES notation for CID 87817296?
The canonical SMILES for CID 87817296 is [B]P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of CID 87817296?
The InChIKey is NWSFQPDLVNWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BP/c21-22(19-7-13-1-14(8-19)3-15(2-13)9-19)20-10-16-4-17(11-20)6-18(5-16)12-20/h13-18H,1-12H2.
What are the key properties of CID 87817296?
CID 87817296 has a molecular weight of 312.25 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87817296 is sourced from PubChem (CID 87817296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).