CID 159842804

C25H52B2 — CID 159842804

IUPAC—
SMILESC.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.[B].[B]
InChIInChI=1S/2C12H24.CH4.2B/c2*1-2-4-6-8-10-12-11-9-7-5-3-1;;;/h2*1-12H2;1H4;;
InChIKeyBJWCZGHJKAMJBV-UHFFFAOYSA-N
MW374.32 g/mol
LogP9.24
Rot. Bonds

About CID 159842804

CID 159842804 (PubChem CID 159842804) has the molecular formula C25H52B2 and a molecular weight of 374.32 g/mol.

Molecular Properties

Compound NameCID 159842804
PubChem CID159842804
Molecular FormulaC25H52B2
Molecular Weight374.32 g/mol
Exact Mass374.43
IUPAC Name—
SMILESC.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.[B].[B]
InChIInChI=1S/2C12H24.CH4.2B/c2*1-2-4-6-8-10-12-11-9-7-5-3-1;;;/h2*1-12H2;1H4;;
InChIKeyBJWCZGHJKAMJBV-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 59.24
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

cyclobutane;methane
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cyclobutane;methane
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cycloheptane;methane
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cyclooctane
CID 9266
cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane
CID 159212715
cyclobutane;cyclopropane
CID 159057906
cyclooctacosane
CID 520451
cyclopentane
CID 141332554
cycloheptane;cyclopropane
CID 165090184
CID 160944250
CID 160944250
cyclobutane;ethene;methane
CID 159877544

Frequently Asked Questions

What is the IUPAC name of CID 159842804?
The IUPAC name of CID 159842804 (CID 159842804) is not available.
What is the SMILES notation for CID 159842804?
The canonical SMILES for CID 159842804 is C.C1CCCCCCCCCCC1.C1CCCCCCCCCCC1.[B].[B].
What is the InChIKey of CID 159842804?
The InChIKey is BJWCZGHJKAMJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H24.CH4.2B/c2*1-2-4-6-8-10-12-11-9-7-5-3-1;;;/h2*1-12H2;1H4;;.
What are the key properties of CID 159842804?
CID 159842804 has a molecular weight of 374.32 g/mol, XLogP of 9.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159842804 is sourced from PubChem (CID 159842804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).