CID 175638200

C14H25BO — CID 175638200

IUPAC—
SMILES[B][C@]1(O)CCC[C@H]2CCCCCC[C@H]2CC1
InChIInChI=1S/C14H25BO/c15-14(16)10-5-8-12-6-3-1-2-4-7-13(12)9-11-14/h12-13,16H,1-11H2/t12-,13+,14+/m1/s1
InChIKeyCDHHIYPCMMZTOV-RDBSUJKOSA-N
MW220.16 g/mol
LogP3.39
Rot. Bonds

About CID 175638200

CID 175638200 (PubChem CID 175638200) has the molecular formula C14H25BO and a molecular weight of 220.16 g/mol.

Molecular Properties

Compound NameCID 175638200
PubChem CID175638200
Molecular FormulaC14H25BO
Molecular Weight220.16 g/mol
Exact Mass220.20
IUPAC Name—
SMILES[B][C@]1(O)CCC[C@H]2CCCCCC[C@H]2CC1
InChIInChI=1S/C14H25BO/c15-14(16)10-5-8-12-6-3-1-2-4-7-13(12)9-11-14/h12-13,16H,1-11H2/t12-,13+,14+/m1/s1
InChIKeyCDHHIYPCMMZTOV-RDBSUJKOSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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cyclohexylcyclohexane;dihydroxysilane
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tricyclo[11.9.0.05,8]docosane
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Frequently Asked Questions

What is the IUPAC name of CID 175638200?
The IUPAC name of CID 175638200 (CID 175638200) is not available.
What is the SMILES notation for CID 175638200?
The canonical SMILES for CID 175638200 is [B][C@]1(O)CCC[C@H]2CCCCCC[C@H]2CC1.
What is the InChIKey of CID 175638200?
The InChIKey is CDHHIYPCMMZTOV-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H25BO/c15-14(16)10-5-8-12-6-3-1-2-4-7-13(12)9-11-14/h12-13,16H,1-11H2/t12-,13+,14+/m1/s1.
What are the key properties of CID 175638200?
CID 175638200 has a molecular weight of 220.16 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175638200 is sourced from PubChem (CID 175638200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).