CID 174102089

C9H16B2 — CID 174102089

IUPAC—
SMILES[B]C1([B])CCC(C(C)C)CC1
InChIInChI=1S/C9H16B2/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyQQKBHWLMIBCALW-UHFFFAOYSA-N
MW145.85 g/mol
LogP2.29
Rot. Bonds1

About CID 174102089

CID 174102089 (PubChem CID 174102089) has the molecular formula C9H16B2 and a molecular weight of 145.85 g/mol.

Molecular Properties

Compound NameCID 174102089
PubChem CID174102089
Molecular FormulaC9H16B2
Molecular Weight145.85 g/mol
Exact Mass146.14
IUPAC Name—
SMILES[B]C1([B])CCC(C(C)C)CC1
InChIInChI=1S/C9H16B2/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3
InChIKeyQQKBHWLMIBCALW-UHFFFAOYSA-N
XLogP2.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.85
LogP ≤ 52.29
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

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CID 174063087
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sodium 1-methyl-4-propan-2-ylcyclohexan-1-olate
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1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
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1-methyl-4-propan-2-ylcyclohexan-1-ol;hydrate
CID 141162449
propan-2-ylcyclopropane;hydroiodide
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1-methyl-4-propan-2-ylbicyclo[4.1.0]heptane
CID 15579949
2,2-difluoro-6-propan-2-ylspiro[2.5]octane
CID 169067796
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
1-carbonochloridoyl-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 87815376
CID 144671980
CID 144671980
1-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65086761

Frequently Asked Questions

What is the IUPAC name of CID 174102089?
The IUPAC name of CID 174102089 (CID 174102089) is not available.
What is the SMILES notation for CID 174102089?
The canonical SMILES for CID 174102089 is [B]C1([B])CCC(C(C)C)CC1.
What is the InChIKey of CID 174102089?
The InChIKey is QQKBHWLMIBCALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16B2/c1-7(2)8-3-5-9(10,11)6-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of CID 174102089?
CID 174102089 has a molecular weight of 145.85 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174102089 is sourced from PubChem (CID 174102089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).