CID 159310434

C19H42B — CID 159310434

IUPAC—
SMILESC.C.CC.CC.CC(C)C.CC(C)c1ccccc1.[B]
InChIInChI=1S/C9H12.C4H10.2C2H6.2CH4.B/c1-8(2)9-6-4-3-5-7-9;1-4(2)3;2*1-2;;;/h3-8H,1-2H3;4H,1-3H3;2*1-2H3;2*1H4;
InChIKeyZRBFDKVPSPKUTK-UHFFFAOYSA-N
MW281.36 g/mol
LogP7.42
Rot. Bonds1

About CID 159310434

CID 159310434 (PubChem CID 159310434) has the molecular formula C19H42B and a molecular weight of 281.36 g/mol.

Molecular Properties

Compound NameCID 159310434
PubChem CID159310434
Molecular FormulaC19H42B
Molecular Weight281.36 g/mol
Exact Mass281.34
IUPAC Name—
SMILESC.C.CC.CC.CC(C)C.CC(C)c1ccccc1.[B]
InChIInChI=1S/C9H12.C4H10.2C2H6.2CH4.B/c1-8(2)9-6-4-3-5-7-9;1-4(2)3;2*1-2;;;/h3-8H,1-2H3;4H,1-3H3;2*1-2H3;2*1H4;
InChIKeyZRBFDKVPSPKUTK-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.36
LogP ≤ 57.42
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

cumene;ethane;bis(2-methylpropane)
CID 161044029
CID 160506105
CID 160506105
cumene;ethane
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cumene;2-methylpropane
CID 90828344
cumene
CID 161227923
benzene;cumene
CID 157215889
propan-2-ylcyclodecapentaene
CID 123508933
cumene;methane;molecular iodine
CID 161218326
chloromethane;cumene;ethane
CID 160847695
cumene;zinc
CID 159490121
cumene;hydrogen peroxide
CID 21225480
cumene;2-methylpropane;propane
CID 158125037

Frequently Asked Questions

What is the IUPAC name of CID 159310434?
The IUPAC name of CID 159310434 (CID 159310434) is not available.
What is the SMILES notation for CID 159310434?
The canonical SMILES for CID 159310434 is C.C.CC.CC.CC(C)C.CC(C)c1ccccc1.[B].
What is the InChIKey of CID 159310434?
The InChIKey is ZRBFDKVPSPKUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H10.2C2H6.2CH4.B/c1-8(2)9-6-4-3-5-7-9;1-4(2)3;2*1-2;;;/h3-8H,1-2H3;4H,1-3H3;2*1-2H3;2*1H4;.
What are the key properties of CID 159310434?
CID 159310434 has a molecular weight of 281.36 g/mol, XLogP of 7.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159310434 is sourced from PubChem (CID 159310434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).