CID 19876403

C10H13B — CID 19876403

IUPAC—
SMILES[B]C(CCC)c1ccccc1
InChIInChI=1S/C10H13B/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyCUYNMIRXXLJFTO-UHFFFAOYSA-N
MW144.03 g/mol
LogP2.70
Rot. Bonds3

About CID 19876403

CID 19876403 (PubChem CID 19876403) has the molecular formula C10H13B and a molecular weight of 144.03 g/mol.

Molecular Properties

Compound NameCID 19876403
PubChem CID19876403
Molecular FormulaC10H13B
Molecular Weight144.03 g/mol
Exact Mass144.11
IUPAC Name—
SMILES[B]C(CCC)c1ccccc1
InChIInChI=1S/C10H13B/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3
InChIKeyCUYNMIRXXLJFTO-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.03
LogP ≤ 52.70
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

pentan-2-ylbenzene
CID 17627
1-phenylbutylsilane
CID 173332415
N-(1-phenylbutyl)ethanimine
CID 139668089
sodium 1-phenylbutan-1-olate
CID 70503341
potassium 1-phenylbutan-1-olate
CID 70503284
1,1-diphenylhexan-3-ylbenzene
CID 57087261
1-chloropentan-2-ylbenzene
CID 524326
2-phenylpentan-1-amine
CID 14321247
1-phenyl-2-propylpentan-1-ol
CID 82987900
N-benzhydryl-N-pentan-2-ylpentan-2-amine
CID 175505077
4-methylheptan-2-ylbenzene
CID 21055597
5-fluorooctan-4-ylbenzene
CID 173060835

Frequently Asked Questions

What is the IUPAC name of CID 19876403?
The IUPAC name of CID 19876403 (CID 19876403) is not available.
What is the SMILES notation for CID 19876403?
The canonical SMILES for CID 19876403 is [B]C(CCC)c1ccccc1.
What is the InChIKey of CID 19876403?
The InChIKey is CUYNMIRXXLJFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13B/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3.
What are the key properties of CID 19876403?
CID 19876403 has a molecular weight of 144.03 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19876403 is sourced from PubChem (CID 19876403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).